4-[(3R)-3-(methanesulfonamido)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid

C13H22N2O5S — CID 129468739

IUPAC4-[(3R)-3-(methanesulfonamido)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
SMILESCS(=O)(=O)N[C@@H]1CCN(C(=O)C2CCC(C(=O)O)CC2)C1
InChIInChI=1S/C13H22N2O5S/c1-21(19,20)14-11-6-7-15(8-11)12(16)9-2-4-10(5-3-9)13(17)18/h9-11,14H,2-8H2,1H3,(H,17,18)/t9?,10?,11-/m1/s1
InChIKeyRUWCKVUAGYRPGM-VQXHTEKXSA-N
MW318.40 g/mol
LogP0.03
Rot. Bonds4

About 4-[(3R)-3-(methanesulfonamido)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid

4-[(3R)-3-(methanesulfonamido)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid (PubChem CID 129468739) has the molecular formula C13H22N2O5S and a molecular weight of 318.40 g/mol. Its IUPAC name is 4-[(3R)-3-(methanesulfonamido)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(3R)-3-(methanesulfonamido)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
PubChem CID129468739
Molecular FormulaC13H22N2O5S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC Name4-[(3R)-3-(methanesulfonamido)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
SMILESCS(=O)(=O)N[C@@H]1CCN(C(=O)C2CCC(C(=O)O)CC2)C1
InChIInChI=1S/C13H22N2O5S/c1-21(19,20)14-11-6-7-15(8-11)12(16)9-2-4-10(5-3-9)13(17)18/h9-11,14H,2-8H2,1H3,(H,17,18)/t9?,10?,11-/m1/s1
InChIKeyRUWCKVUAGYRPGM-VQXHTEKXSA-N
XLogP0.03
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methanesulfonamide
CID 95051787
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]methanesulfonamide
CID 51302071
cis-(1S,2R)-2-[4-(methanesulfonamido)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 93377338
3-[3-(methanesulfonamido)piperidine-1-carbonyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64834840
N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-1-methylsulfonylpiperidine-4-carboxamide
CID 110871494
N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]propanamide
CID 110871450
cyclopropyl-[4-(methylamino)piperidin-1-yl]methanone
CID 60817866
N-[1-[2-(cyclopropylmethylamino)acetyl]pyrrolidin-3-yl]methanesulfonamide;hydrochloride
CID 119793534
N-[(3R)-1-[(1S,2R)-2-(4-chlorophenyl)cyclopropanecarbonyl]pyrrolidin-3-yl]methanesulfonamide
CID 129425838
3-(3,4-dimethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103551239
4-[4-(methylcarbamoyl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 63784854
4-[3-(diethylamino)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 63782669

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-(methanesulfonamido)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(3R)-3-(methanesulfonamido)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid (CID 129468739) is 4-[(3R)-3-(methanesulfonamido)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(3R)-3-(methanesulfonamido)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(3R)-3-(methanesulfonamido)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid is CS(=O)(=O)N[C@@H]1CCN(C(=O)C2CCC(C(=O)O)CC2)C1.
What is the InChIKey of 4-[(3R)-3-(methanesulfonamido)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid?
The InChIKey is RUWCKVUAGYRPGM-VQXHTEKXSA-N. The full InChI is InChI=1S/C13H22N2O5S/c1-21(19,20)14-11-6-7-15(8-11)12(16)9-2-4-10(5-3-9)13(17)18/h9-11,14H,2-8H2,1H3,(H,17,18)/t9?,10?,11-/m1/s1.
What are the key properties of 4-[(3R)-3-(methanesulfonamido)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid?
4-[(3R)-3-(methanesulfonamido)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid has a molecular weight of 318.40 g/mol, XLogP of 0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-(methanesulfonamido)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 129468739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).