N-(1-methylpyrrolidin-3-yl)methanesulfonamide

C6H14N2O2S — CID 18723366

IUPACN-(1-methylpyrrolidin-3-yl)methanesulfonamide
SMILESCN1CCC(NS(C)(=O)=O)C1
InChIInChI=1S/C6H14N2O2S/c1-8-4-3-6(5-8)7-11(2,9)10/h6-7H,3-5H2,1-2H3
InChIKeyMXEGZHFAGSMGAJ-UHFFFAOYSA-N
MW178.26 g/mol
LogP-0.76
Rot. Bonds2

About N-(1-methylpyrrolidin-3-yl)methanesulfonamide

N-(1-methylpyrrolidin-3-yl)methanesulfonamide (PubChem CID 18723366) has the molecular formula C6H14N2O2S and a molecular weight of 178.26 g/mol. Its IUPAC name is N-(1-methylpyrrolidin-3-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(1-methylpyrrolidin-3-yl)methanesulfonamide
PubChem CID18723366
Molecular FormulaC6H14N2O2S
Molecular Weight178.26 g/mol
Exact Mass178.08
IUPAC NameN-(1-methylpyrrolidin-3-yl)methanesulfonamide
SMILESCN1CCC(NS(C)(=O)=O)C1
InChIInChI=1S/C6H14N2O2S/c1-8-4-3-6(5-8)7-11(2,9)10/h6-7H,3-5H2,1-2H3
InChIKeyMXEGZHFAGSMGAJ-UHFFFAOYSA-N
XLogP-0.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 5-0.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

((2R)-1-methanesulfonylpyrrolidin-2-yl)methanamine
CID 71757008
N-(pyrrolidin-3-yl)methanesulfonamide hydrochloride
CID 54593949
N-[(3S)-pyrrolidin-3-yl]methanesulfonamide hydrochloride
CID 67249206
N-((3R)-pyrrolidin-3-yl)methanesulfonamide hydrochloride
CID 137965899
N-[(3R)-4,4-difluoropyrrolidin-3-yl]methanesulfonamide;hydrochloride
CID 169240282
N-(Pyrrolidin-3-yl)methanesulfonamide
CID 22352625
N-(Pyrrolidin-3-yl)propane-1-sulfonamide
CID 43602878
3-Amino-1-methanesulfonylpyrrolidine
CID 53393253
1-methanesulfonyl-N-methylpyrrolidin-3-amine
CID 59686798
1-methanesulfonyl-N-methylpyrrolidin-3-amine hydrochloride
CID 119031901
3-(Aminomethyl)-2-methyl-1lambda6,2-thiazolidine-1,1-dione
CID 129982016
(2S)-1-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-2-amine;hydrochloride
CID 170914813

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrrolidin-3-yl)methanesulfonamide?
The IUPAC name of N-(1-methylpyrrolidin-3-yl)methanesulfonamide (CID 18723366) is N-(1-methylpyrrolidin-3-yl)methanesulfonamide.
What is the SMILES notation for N-(1-methylpyrrolidin-3-yl)methanesulfonamide?
The canonical SMILES for N-(1-methylpyrrolidin-3-yl)methanesulfonamide is CN1CCC(NS(C)(=O)=O)C1.
What is the InChIKey of N-(1-methylpyrrolidin-3-yl)methanesulfonamide?
The InChIKey is MXEGZHFAGSMGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2S/c1-8-4-3-6(5-8)7-11(2,9)10/h6-7H,3-5H2,1-2H3.
What are the key properties of N-(1-methylpyrrolidin-3-yl)methanesulfonamide?
N-(1-methylpyrrolidin-3-yl)methanesulfonamide has a molecular weight of 178.26 g/mol, XLogP of -0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrrolidin-3-yl)methanesulfonamide is sourced from PubChem (CID 18723366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).