N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]cyclopropanesulfonamide

C9H18N2O2S — CID 59651724

IUPACN-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]cyclopropanesulfonamide
SMILESCN(C[C@@H]1CCCN1)S(=O)(=O)C1CC1
InChIInChI=1S/C9H18N2O2S/c1-11(7-8-3-2-6-10-8)14(12,13)9-4-5-9/h8-10H,2-7H2,1H3/t8-/m0/s1
InChIKeyXWCFLNAVUMXVNS-QMMMGPOBSA-N
MW218.32 g/mol
LogP0.16
Rot. Bonds4

About N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]cyclopropanesulfonamide

N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]cyclopropanesulfonamide (PubChem CID 59651724) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]cyclopropanesulfonamide
PubChem CID59651724
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC NameN-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]cyclopropanesulfonamide
SMILESCN(C[C@@H]1CCCN1)S(=O)(=O)C1CC1
InChIInChI=1S/C9H18N2O2S/c1-11(7-8-3-2-6-10-8)14(12,13)9-4-5-9/h8-10H,2-7H2,1H3/t8-/m0/s1
InChIKeyXWCFLNAVUMXVNS-QMMMGPOBSA-N
XLogP0.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]cyclopropanesulfonamide?
The IUPAC name of N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]cyclopropanesulfonamide (CID 59651724) is N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]cyclopropanesulfonamide.
What is the SMILES notation for N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]cyclopropanesulfonamide?
The canonical SMILES for N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]cyclopropanesulfonamide is CN(C[C@@H]1CCCN1)S(=O)(=O)C1CC1.
What is the InChIKey of N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]cyclopropanesulfonamide?
The InChIKey is XWCFLNAVUMXVNS-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H18N2O2S/c1-11(7-8-3-2-6-10-8)14(12,13)9-4-5-9/h8-10H,2-7H2,1H3/t8-/m0/s1.
What are the key properties of N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]cyclopropanesulfonamide?
N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]cyclopropanesulfonamide has a molecular weight of 218.32 g/mol, XLogP of 0.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]cyclopropanesulfonamide is sourced from PubChem (CID 59651724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).