(2S)-1-methylsulfonyl-N-[[(1S,3R)-3-[[(2R)-oxolane-2-carbonyl]amino]cyclopentyl]methyl]pyrrolidine-2-carboxamide

C17H29N3O5S — CID 166378342

IUPAC(2S)-1-methylsulfonyl-N-[[(1S,3R)-3-[[(2R)-oxolane-2-carbonyl]amino]cyclopentyl]methyl]pyrrolidine-2-carboxamide
SMILESCS(=O)(=O)N1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)[C@H]2CCCO2)C1
InChIInChI=1S/C17H29N3O5S/c1-26(23,24)20-8-2-4-14(20)16(21)18-11-12-6-7-13(10-12)19-17(22)15-5-3-9-25-15/h12-15H,2-11H2,1H3,(H,18,21)(H,19,22)/t12-,13+,14-,15+/m0/s1
InChIKeyANWSLKIDJZLKOA-LJISPDSOSA-N
MW387.50 g/mol
LogP-0.01
Rot. Bonds6

About (2S)-1-methylsulfonyl-N-[[(1S,3R)-3-[[(2R)-oxolane-2-carbonyl]amino]cyclopentyl]methyl]pyrrolidine-2-carboxamide

(2S)-1-methylsulfonyl-N-[[(1S,3R)-3-[[(2R)-oxolane-2-carbonyl]amino]cyclopentyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 166378342) has the molecular formula C17H29N3O5S and a molecular weight of 387.50 g/mol. Its IUPAC name is (2S)-1-methylsulfonyl-N-[[(1S,3R)-3-[[(2R)-oxolane-2-carbonyl]amino]cyclopentyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-methylsulfonyl-N-[[(1S,3R)-3-[[(2R)-oxolane-2-carbonyl]amino]cyclopentyl]methyl]pyrrolidine-2-carboxamide
PubChem CID166378342
Molecular FormulaC17H29N3O5S
Molecular Weight387.50 g/mol
Exact Mass387.18
IUPAC Name(2S)-1-methylsulfonyl-N-[[(1S,3R)-3-[[(2R)-oxolane-2-carbonyl]amino]cyclopentyl]methyl]pyrrolidine-2-carboxamide
SMILESCS(=O)(=O)N1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)[C@H]2CCCO2)C1
InChIInChI=1S/C17H29N3O5S/c1-26(23,24)20-8-2-4-14(20)16(21)18-11-12-6-7-13(10-12)19-17(22)15-5-3-9-25-15/h12-15H,2-11H2,1H3,(H,18,21)(H,19,22)/t12-,13+,14-,15+/m0/s1
InChIKeyANWSLKIDJZLKOA-LJISPDSOSA-N
XLogP-0.01
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.50
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-1-methylsulfonyl-N-[[(1S,3R)-3-[[(2R)-oxolane-2-carbonyl]amino]cyclopentyl]methyl]pyrrolidine-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

N-(cyclopropylmethyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 47158071
(2R)-1-methylsulfonyl-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-2-carboxamide
CID 124748947
N-[(3-hydroxycyclopentyl)methyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 103280167
(2R)-N-cyclopropyloxolane-2-carboxamide
CID 40569533
(2R)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 124831536
N-(3-methyl-2-propan-2-ylbutyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 102915113
(2S)-N-[4-(methylamino)cyclohexyl]oxolane-2-carboxamide
CID 93256529
(2S)-N-(azetidin-3-yl)oxolane-2-carboxamide
CID 104856358
(2R)-N-[4-(methylamino)cyclohexyl]oxolane-2-carboxamide
CID 93256530
3-(oxolane-2-carbonylamino)cyclopentane-1-carboxylic acid
CID 66032104
(2R)-N-cyclohexyl-1-methylsulfonylpiperidine-2-carboxamide
CID 31407568
N-[(3-aminocyclopentyl)methyl]oxane-2-carboxamide
CID 106121843

Frequently Asked Questions

What is the IUPAC name of (2S)-1-methylsulfonyl-N-[[(1S,3R)-3-[[(2R)-oxolane-2-carbonyl]amino]cyclopentyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-methylsulfonyl-N-[[(1S,3R)-3-[[(2R)-oxolane-2-carbonyl]amino]cyclopentyl]methyl]pyrrolidine-2-carboxamide (CID 166378342) is (2S)-1-methylsulfonyl-N-[[(1S,3R)-3-[[(2R)-oxolane-2-carbonyl]amino]cyclopentyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-methylsulfonyl-N-[[(1S,3R)-3-[[(2R)-oxolane-2-carbonyl]amino]cyclopentyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-methylsulfonyl-N-[[(1S,3R)-3-[[(2R)-oxolane-2-carbonyl]amino]cyclopentyl]methyl]pyrrolidine-2-carboxamide is CS(=O)(=O)N1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)[C@H]2CCCO2)C1.
What is the InChIKey of (2S)-1-methylsulfonyl-N-[[(1S,3R)-3-[[(2R)-oxolane-2-carbonyl]amino]cyclopentyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is ANWSLKIDJZLKOA-LJISPDSOSA-N. The full InChI is InChI=1S/C17H29N3O5S/c1-26(23,24)20-8-2-4-14(20)16(21)18-11-12-6-7-13(10-12)19-17(22)15-5-3-9-25-15/h12-15H,2-11H2,1H3,(H,18,21)(H,19,22)/t12-,13+,14-,15+/m0/s1.
What are the key properties of (2S)-1-methylsulfonyl-N-[[(1S,3R)-3-[[(2R)-oxolane-2-carbonyl]amino]cyclopentyl]methyl]pyrrolidine-2-carboxamide?
(2S)-1-methylsulfonyl-N-[[(1S,3R)-3-[[(2R)-oxolane-2-carbonyl]amino]cyclopentyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 387.50 g/mol, XLogP of -0.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-methylsulfonyl-N-[[(1S,3R)-3-[[(2R)-oxolane-2-carbonyl]amino]cyclopentyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 166378342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).