(2R)-N-[[(1S,2R)-2-(methanesulfonamido)cyclopentyl]methyl]-2-methyl-3-methylsulfanylpropanamide

C12H24N2O3S2 — CID 124733780

IUPAC(2R)-N-[[(1S,2R)-2-(methanesulfonamido)cyclopentyl]methyl]-2-methyl-3-methylsulfanylpropanamide
SMILESCSC[C@H](C)C(=O)NC[C@@H]1CCC[C@H]1NS(C)(=O)=O
InChIInChI=1S/C12H24N2O3S2/c1-9(8-18-2)12(15)13-7-10-5-4-6-11(10)14-19(3,16)17/h9-11,14H,4-8H2,1-3H3,(H,13,15)/t9-,10-,11+/m0/s1
InChIKeyLLWQHYUCNDSJHH-GARJFASQSA-N
MW308.47 g/mol
LogP0.82
Rot. Bonds7

About (2R)-N-[[(1S,2R)-2-(methanesulfonamido)cyclopentyl]methyl]-2-methyl-3-methylsulfanylpropanamide

(2R)-N-[[(1S,2R)-2-(methanesulfonamido)cyclopentyl]methyl]-2-methyl-3-methylsulfanylpropanamide (PubChem CID 124733780) has the molecular formula C12H24N2O3S2 and a molecular weight of 308.47 g/mol. Its IUPAC name is (2R)-N-[[(1S,2R)-2-(methanesulfonamido)cyclopentyl]methyl]-2-methyl-3-methylsulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-[[(1S,2R)-2-(methanesulfonamido)cyclopentyl]methyl]-2-methyl-3-methylsulfanylpropanamide
PubChem CID124733780
Molecular FormulaC12H24N2O3S2
Molecular Weight308.47 g/mol
Exact Mass308.12
IUPAC Name(2R)-N-[[(1S,2R)-2-(methanesulfonamido)cyclopentyl]methyl]-2-methyl-3-methylsulfanylpropanamide
SMILESCSC[C@H](C)C(=O)NC[C@@H]1CCC[C@H]1NS(C)(=O)=O
InChIInChI=1S/C12H24N2O3S2/c1-9(8-18-2)12(15)13-7-10-5-4-6-11(10)14-19(3,16)17/h9-11,14H,4-8H2,1-3H3,(H,13,15)/t9-,10-,11+/m0/s1
InChIKeyLLWQHYUCNDSJHH-GARJFASQSA-N
XLogP0.82
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-N-[[(1S,2R)-2-(methanesulfonamido)cyclopentyl]methyl]-2-methyl-3-methylsulfanylpropanamide with MolForge

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Related Compounds

2-amino-N-[[2-(methanesulfonamido)cyclopentyl]methyl]-3-methylpentanamide;hydrochloride
CID 119821615
2-amino-N-[[2-(methanesulfonamido)cyclopentyl]methyl]-3-methoxypropanamide;hydrochloride
CID 120992412
2-amino-N-[[2-(methanesulfonamido)cyclopentyl]methyl]-3-methoxypropanamide
CID 120992413
2-amino-N-[[2-(methanesulfonamido)cyclopentyl]methyl]pentanamide;hydrochloride
CID 119345236
3-amino-N-[[2-(methanesulfonamido)cyclopentyl]methyl]butanamide;hydrochloride
CID 119821617
N-[[2-(methanesulfonamido)cyclopentyl]methyl]-2-(methylamino)acetamide;hydrochloride
CID 119821597
3-amino-N-[[2-(methanesulfonamido)cyclopentyl]methyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119821595
N-[2-(hydroxymethyl)cyclopentyl]methanesulfonamide
CID 103697796
2-amino-N-[[2-(methanesulfonamido)cyclopentyl]methyl]-2-methylpentanamide
CID 119821628
9-amino-N-[[2-(methanesulfonamido)cyclopentyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120992414
N-[[2-(methanesulfonamido)cyclopentyl]methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119345210
2-(4-aminophenyl)-N-[[2-(methanesulfonamido)cyclopentyl]methyl]acetamide;hydrochloride
CID 119821585

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[(1S,2R)-2-(methanesulfonamido)cyclopentyl]methyl]-2-methyl-3-methylsulfanylpropanamide?
The IUPAC name of (2R)-N-[[(1S,2R)-2-(methanesulfonamido)cyclopentyl]methyl]-2-methyl-3-methylsulfanylpropanamide (CID 124733780) is (2R)-N-[[(1S,2R)-2-(methanesulfonamido)cyclopentyl]methyl]-2-methyl-3-methylsulfanylpropanamide.
What is the SMILES notation for (2R)-N-[[(1S,2R)-2-(methanesulfonamido)cyclopentyl]methyl]-2-methyl-3-methylsulfanylpropanamide?
The canonical SMILES for (2R)-N-[[(1S,2R)-2-(methanesulfonamido)cyclopentyl]methyl]-2-methyl-3-methylsulfanylpropanamide is CSC[C@H](C)C(=O)NC[C@@H]1CCC[C@H]1NS(C)(=O)=O.
What is the InChIKey of (2R)-N-[[(1S,2R)-2-(methanesulfonamido)cyclopentyl]methyl]-2-methyl-3-methylsulfanylpropanamide?
The InChIKey is LLWQHYUCNDSJHH-GARJFASQSA-N. The full InChI is InChI=1S/C12H24N2O3S2/c1-9(8-18-2)12(15)13-7-10-5-4-6-11(10)14-19(3,16)17/h9-11,14H,4-8H2,1-3H3,(H,13,15)/t9-,10-,11+/m0/s1.
What are the key properties of (2R)-N-[[(1S,2R)-2-(methanesulfonamido)cyclopentyl]methyl]-2-methyl-3-methylsulfanylpropanamide?
(2R)-N-[[(1S,2R)-2-(methanesulfonamido)cyclopentyl]methyl]-2-methyl-3-methylsulfanylpropanamide has a molecular weight of 308.47 g/mol, XLogP of 0.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[(1S,2R)-2-(methanesulfonamido)cyclopentyl]methyl]-2-methyl-3-methylsulfanylpropanamide is sourced from PubChem (CID 124733780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).