N-[[1-(aminomethyl)cyclopropyl]methyl]methanesulfonamide

C6H14N2O2S — CID 115456980

IUPACN-[[1-(aminomethyl)cyclopropyl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1(CN)CC1
InChIInChI=1S/C6H14N2O2S/c1-11(9,10)8-5-6(4-7)2-3-6/h8H,2-5,7H2,1H3
InChIKeyGNFJGOBBWQXCSO-UHFFFAOYSA-N
MW178.26 g/mol
LogP-0.73
Rot. Bonds4

About N-[[1-(aminomethyl)cyclopropyl]methyl]methanesulfonamide

N-[[1-(aminomethyl)cyclopropyl]methyl]methanesulfonamide (PubChem CID 115456980) has the molecular formula C6H14N2O2S and a molecular weight of 178.26 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclopropyl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopropyl]methyl]methanesulfonamide
PubChem CID115456980
Molecular FormulaC6H14N2O2S
Molecular Weight178.26 g/mol
Exact Mass178.08
IUPAC NameN-[[1-(aminomethyl)cyclopropyl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1(CN)CC1
InChIInChI=1S/C6H14N2O2S/c1-11(9,10)8-5-6(4-7)2-3-6/h8H,2-5,7H2,1H3
InChIKeyGNFJGOBBWQXCSO-UHFFFAOYSA-N
XLogP-0.73
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]methanesulfonamide?
The IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]methanesulfonamide (CID 115456980) is N-[[1-(aminomethyl)cyclopropyl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopropyl]methyl]methanesulfonamide?
The canonical SMILES for N-[[1-(aminomethyl)cyclopropyl]methyl]methanesulfonamide is CS(=O)(=O)NCC1(CN)CC1.
What is the InChIKey of N-[[1-(aminomethyl)cyclopropyl]methyl]methanesulfonamide?
The InChIKey is GNFJGOBBWQXCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2S/c1-11(9,10)8-5-6(4-7)2-3-6/h8H,2-5,7H2,1H3.
What are the key properties of N-[[1-(aminomethyl)cyclopropyl]methyl]methanesulfonamide?
N-[[1-(aminomethyl)cyclopropyl]methyl]methanesulfonamide has a molecular weight of 178.26 g/mol, XLogP of -0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclopropyl]methyl]methanesulfonamide is sourced from PubChem (CID 115456980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).