(2S,3aS,6aS)-N-methyl-1-methylsulfonyl-5-(thiophen-2-ylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide

C14H21N3O3S2 — CID 124800939

IUPAC(2S,3aS,6aS)-N-methyl-1-methylsulfonyl-5-(thiophen-2-ylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@H]2CN(Cc3cccs3)C[C@H]2N1S(C)(=O)=O
InChIInChI=1S/C14H21N3O3S2/c1-15-14(18)12-6-10-7-16(8-11-4-3-5-21-11)9-13(10)17(12)22(2,19)20/h3-5,10,12-13H,6-9H2,1-2H3,(H,15,18)/t10-,12-,13+/m0/s1
InChIKeyJNFWNTCUPFVBSG-WCFLWFBJSA-N
MW343.47 g/mol
LogP0.33
Rot. Bonds4

About (2S,3aS,6aS)-N-methyl-1-methylsulfonyl-5-(thiophen-2-ylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide

(2S,3aS,6aS)-N-methyl-1-methylsulfonyl-5-(thiophen-2-ylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide (PubChem CID 124800939) has the molecular formula C14H21N3O3S2 and a molecular weight of 343.47 g/mol. Its IUPAC name is (2S,3aS,6aS)-N-methyl-1-methylsulfonyl-5-(thiophen-2-ylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide.

Molecular Properties

Compound Name(2S,3aS,6aS)-N-methyl-1-methylsulfonyl-5-(thiophen-2-ylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide
PubChem CID124800939
Molecular FormulaC14H21N3O3S2
Molecular Weight343.47 g/mol
Exact Mass343.10
IUPAC Name(2S,3aS,6aS)-N-methyl-1-methylsulfonyl-5-(thiophen-2-ylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@H]2CN(Cc3cccs3)C[C@H]2N1S(C)(=O)=O
InChIInChI=1S/C14H21N3O3S2/c1-15-14(18)12-6-10-7-16(8-11-4-3-5-21-11)9-13(10)17(12)22(2,19)20/h3-5,10,12-13H,6-9H2,1-2H3,(H,15,18)/t10-,12-,13+/m0/s1
InChIKeyJNFWNTCUPFVBSG-WCFLWFBJSA-N
XLogP0.33
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S,3aS,6aS)-N-methyl-1-methylsulfonyl-5-(thiophen-2-ylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3aR,6aR)-N-methyl-5-[(5-methylfuran-2-yl)methyl]-1-methylsulfonyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155861363
(2S,3aS,6aS)-N-methyl-5-(5-methyl-1,2-oxazole-3-carbonyl)-1-methylsulfonyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide
CID 124893459
N-[(1S,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-2-thiophen-2-ylacetamide
CID 100715401
1-methylsulfonyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pyrrolidine-2-carboxamide
CID 49056443
(3aR,7aS)-N,N-dimethyl-2-(thiophen-2-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine-5-sulfonamide
CID 97377229
5-(thiophen-2-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 60972638
(2R,6R)-12-methyl-4-(thiophen-2-ylmethyl)-1,4,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene
CID 92565931
N-(4-fluorophenyl)-1-methyl-5-[1-(thiophen-2-ylmethyl)piperidin-4-yl]pyrrolidine-3-carboxamide
CID 46956837
N-methyl-1-(thiophen-2-ylmethyl)pyrrolidin-3-amine
CID 60861984
(2R,3aR,6aR)-N,1-dimethyl-5-[(5-methylthiophen-2-yl)methyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 155863505
(4aR,7aR)-6-methylsulfonyl-1-(thiophen-2-ylmethyl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine
CID 97377270
(2R,3aR,6aR)-1-acetyl-5-benzyl-N-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155840819

Frequently Asked Questions

What is the IUPAC name of (2S,3aS,6aS)-N-methyl-1-methylsulfonyl-5-(thiophen-2-ylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide?
The IUPAC name of (2S,3aS,6aS)-N-methyl-1-methylsulfonyl-5-(thiophen-2-ylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide (CID 124800939) is (2S,3aS,6aS)-N-methyl-1-methylsulfonyl-5-(thiophen-2-ylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide.
What is the SMILES notation for (2S,3aS,6aS)-N-methyl-1-methylsulfonyl-5-(thiophen-2-ylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide?
The canonical SMILES for (2S,3aS,6aS)-N-methyl-1-methylsulfonyl-5-(thiophen-2-ylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide is CNC(=O)[C@@H]1C[C@H]2CN(Cc3cccs3)C[C@H]2N1S(C)(=O)=O.
What is the InChIKey of (2S,3aS,6aS)-N-methyl-1-methylsulfonyl-5-(thiophen-2-ylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide?
The InChIKey is JNFWNTCUPFVBSG-WCFLWFBJSA-N. The full InChI is InChI=1S/C14H21N3O3S2/c1-15-14(18)12-6-10-7-16(8-11-4-3-5-21-11)9-13(10)17(12)22(2,19)20/h3-5,10,12-13H,6-9H2,1-2H3,(H,15,18)/t10-,12-,13+/m0/s1.
What are the key properties of (2S,3aS,6aS)-N-methyl-1-methylsulfonyl-5-(thiophen-2-ylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide?
(2S,3aS,6aS)-N-methyl-1-methylsulfonyl-5-(thiophen-2-ylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide has a molecular weight of 343.47 g/mol, XLogP of 0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3aS,6aS)-N-methyl-1-methylsulfonyl-5-(thiophen-2-ylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide is sourced from PubChem (CID 124800939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).