N-[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methanesulfonamide

C9H16N2O3S — CID 95051787

IUPACN-[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@@H]1CCN(C(=O)C2CC2)C1
InChIInChI=1S/C9H16N2O3S/c1-15(13,14)10-8-4-5-11(6-8)9(12)7-2-3-7/h7-8,10H,2-6H2,1H3/t8-/m1/s1
InChIKeySQIOKTGOIRKQCC-MRVPVSSYSA-N
MW232.30 g/mol
LogP-0.45
Rot. Bonds3

About N-[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methanesulfonamide

N-[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methanesulfonamide (PubChem CID 95051787) has the molecular formula C9H16N2O3S and a molecular weight of 232.30 g/mol. Its IUPAC name is N-[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methanesulfonamide
PubChem CID95051787
Molecular FormulaC9H16N2O3S
Molecular Weight232.30 g/mol
Exact Mass232.09
IUPAC NameN-[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@@H]1CCN(C(=O)C2CC2)C1
InChIInChI=1S/C9H16N2O3S/c1-15(13,14)10-8-4-5-11(6-8)9(12)7-2-3-7/h7-8,10H,2-6H2,1H3/t8-/m1/s1
InChIKeySQIOKTGOIRKQCC-MRVPVSSYSA-N
XLogP-0.45
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3R)-3-(methanesulfonamido)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 129468739
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]methanesulfonamide
CID 51302071
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
cyclopropyl-(3,4-dimethylpiperidin-1-yl)methanone
CID 21061776
cyclopropyl-[(3S)-3-(methylamino)piperidin-1-yl]methanone
CID 94475773
3-[3-(methanesulfonamido)piperidine-1-carbonyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64834840
2-chloro-N-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]prop-2-ene-1-sulfonamide
CID 99793080
[3-(methylamino)pyrrolidin-1-yl]-(oxan-4-yl)methanone
CID 81468978

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of N-[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methanesulfonamide (CID 95051787) is N-[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methanesulfonamide is CS(=O)(=O)N[C@@H]1CCN(C(=O)C2CC2)C1.
What is the InChIKey of N-[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methanesulfonamide?
The InChIKey is SQIOKTGOIRKQCC-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H16N2O3S/c1-15(13,14)10-8-4-5-11(6-8)9(12)7-2-3-7/h7-8,10H,2-6H2,1H3/t8-/m1/s1.
What are the key properties of N-[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methanesulfonamide?
N-[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methanesulfonamide has a molecular weight of 232.30 g/mol, XLogP of -0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 95051787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).