N-[[(3S)-pyrrolidin-3-yl]methyl]methanesulfonamide

C6H14N2O2S — CID 66653276

IUPACN-[[(3S)-pyrrolidin-3-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NC[C@H]1CCNC1
InChIInChI=1S/C6H14N2O2S/c1-11(9,10)8-5-6-2-3-7-4-6/h6-8H,2-5H2,1H3/t6-/m0/s1
InChIKeyPCAPUMJQKJGNGT-LURJTMIESA-N
MW178.26 g/mol
LogP-0.85
Rot. Bonds3

About N-[[(3S)-pyrrolidin-3-yl]methyl]methanesulfonamide

N-[[(3S)-pyrrolidin-3-yl]methyl]methanesulfonamide (PubChem CID 66653276) has the molecular formula C6H14N2O2S and a molecular weight of 178.26 g/mol. Its IUPAC name is N-[[(3S)-pyrrolidin-3-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[(3S)-pyrrolidin-3-yl]methyl]methanesulfonamide
PubChem CID66653276
Molecular FormulaC6H14N2O2S
Molecular Weight178.26 g/mol
Exact Mass178.08
IUPAC NameN-[[(3S)-pyrrolidin-3-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NC[C@H]1CCNC1
InChIInChI=1S/C6H14N2O2S/c1-11(9,10)8-5-6-2-3-7-4-6/h6-8H,2-5H2,1H3/t6-/m0/s1
InChIKeyPCAPUMJQKJGNGT-LURJTMIESA-N
XLogP-0.85
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(3R)-pyrrolidin-3-yl]methyl]methanesulfonamide
CID 55296076
3-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]pyrrolidine
CID 80563123
2-(pyrrolidin-3-ylmethylsulfamoyl)acetic acid
CID 80563346
(3R)-3-(methylsulfonylmethyl)pyrrolidine
CID 124510073
4-methyl-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide
CID 80563394
N-[dimethyl(oxo)-λ6-sulfanylidene]-2-pyrrolidin-3-ylacetamide
CID 130582043
N-[(5-methylpiperidin-3-yl)methyl]methanesulfonamide
CID 139343272
2,6-dimethyl-N-(pyrrolidin-3-ylmethyl)morpholine-4-sulfonamide;hydrochloride
CID 120720986
4,4,4-trifluoro-N-(pyrrolidin-3-ylmethyl)butane-1-sulfonamide
CID 83060140
N-(piperidin-3-ylmethylsulfamoyl)propan-2-amine
CID 114807423
N-methyl-2-pyrrolidin-3-ylethanesulfonamide
CID 115019215
methyl 4-(pyrrolidin-3-ylmethylsulfamoyl)butanoate
CID 80563588

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-pyrrolidin-3-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[(3S)-pyrrolidin-3-yl]methyl]methanesulfonamide (CID 66653276) is N-[[(3S)-pyrrolidin-3-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[(3S)-pyrrolidin-3-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[(3S)-pyrrolidin-3-yl]methyl]methanesulfonamide is CS(=O)(=O)NC[C@H]1CCNC1.
What is the InChIKey of N-[[(3S)-pyrrolidin-3-yl]methyl]methanesulfonamide?
The InChIKey is PCAPUMJQKJGNGT-LURJTMIESA-N. The full InChI is InChI=1S/C6H14N2O2S/c1-11(9,10)8-5-6-2-3-7-4-6/h6-8H,2-5H2,1H3/t6-/m0/s1.
What are the key properties of N-[[(3S)-pyrrolidin-3-yl]methyl]methanesulfonamide?
N-[[(3S)-pyrrolidin-3-yl]methyl]methanesulfonamide has a molecular weight of 178.26 g/mol, XLogP of -0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-pyrrolidin-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 66653276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).