N-methyl-N-propan-2-yl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-sulfonamide

C10H21N3O2S — CID 76904465

IUPACN-methyl-N-propan-2-yl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-sulfonamide
SMILESCC(C)N(C)S(=O)(=O)N1CCC2CNCC21
InChIInChI=1S/C10H21N3O2S/c1-8(2)12(3)16(14,15)13-5-4-9-6-11-7-10(9)13/h8-11H,4-7H2,1-3H3
InChIKeyKYPYZBFZMNOWCH-UHFFFAOYSA-N
MW247.36 g/mol
LogP-0.13
Rot. Bonds3

About N-methyl-N-propan-2-yl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-sulfonamide

N-methyl-N-propan-2-yl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-sulfonamide (PubChem CID 76904465) has the molecular formula C10H21N3O2S and a molecular weight of 247.36 g/mol. Its IUPAC name is N-methyl-N-propan-2-yl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-propan-2-yl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-sulfonamide
PubChem CID76904465
Molecular FormulaC10H21N3O2S
Molecular Weight247.36 g/mol
Exact Mass247.14
IUPAC NameN-methyl-N-propan-2-yl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-sulfonamide
SMILESCC(C)N(C)S(=O)(=O)N1CCC2CNCC21
InChIInChI=1S/C10H21N3O2S/c1-8(2)12(3)16(14,15)13-5-4-9-6-11-7-10(9)13/h8-11H,4-7H2,1-3H3
InChIKeyKYPYZBFZMNOWCH-UHFFFAOYSA-N
XLogP-0.13
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3aS,6aS)-N-tert-butyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-sulfonamide
CID 104978113
methyl N-[[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]sulfonyl]carbamate
CID 104929236
(3aS,6aS)-1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole
CID 43597671
1-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-2-methylsulfonylpropan-1-one
CID 104520615
(3aS,6aS)-1-(1-methylpyrrol-3-yl)sulfonyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole
CID 43597642
(3aR,6aR)-1-(2-oxabicyclo[3.1.1]heptan-4-ylsulfonyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-b]pyrrole
CID 166327172
(3aS,6aS)-1-(2,5-dimethylthiophen-3-yl)sulfonyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole
CID 43597542
(3aR,6aR)-1-(3,4-dimethoxyphenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole
CID 128845992
(3aS,6aS)-N,N-diethyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carboxamide
CID 79161578
bis(1-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole);dihydrochloride
CID 154734095
3-hydroxy-N-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide
CID 62917299
(3S)-3-amino-N-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide
CID 94340197

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-propan-2-yl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-sulfonamide?
The IUPAC name of N-methyl-N-propan-2-yl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-sulfonamide (CID 76904465) is N-methyl-N-propan-2-yl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-sulfonamide.
What is the SMILES notation for N-methyl-N-propan-2-yl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-sulfonamide?
The canonical SMILES for N-methyl-N-propan-2-yl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-sulfonamide is CC(C)N(C)S(=O)(=O)N1CCC2CNCC21.
What is the InChIKey of N-methyl-N-propan-2-yl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-sulfonamide?
The InChIKey is KYPYZBFZMNOWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2S/c1-8(2)12(3)16(14,15)13-5-4-9-6-11-7-10(9)13/h8-11H,4-7H2,1-3H3.
What are the key properties of N-methyl-N-propan-2-yl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-sulfonamide?
N-methyl-N-propan-2-yl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-sulfonamide has a molecular weight of 247.36 g/mol, XLogP of -0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-propan-2-yl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-sulfonamide is sourced from PubChem (CID 76904465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).