N-[1-(aminomethyl)cyclopropyl]methanesulfonamide

C5H12N2O2S — CID 67149039

IUPACN-[1-(aminomethyl)cyclopropyl]methanesulfonamide
SMILESCS(=O)(=O)NC1(CN)CC1
InChIInChI=1S/C5H12N2O2S/c1-10(8,9)7-5(4-6)2-3-5/h7H,2-4,6H2,1H3
InChIKeySPZUXJBRBOEALJ-UHFFFAOYSA-N
MW164.23 g/mol
LogP-0.97
Rot. Bonds3

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

N-[1-(aminomethyl)cyclopropyl]methanesulfonamide (PubChem CID 67149039) has the molecular formula C5H12N2O2S and a molecular weight of 164.23 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopropyl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopropyl]methanesulfonamide
PubChem CID67149039
Molecular FormulaC5H12N2O2S
Molecular Weight164.23 g/mol
Exact Mass164.06
IUPAC NameN-[1-(aminomethyl)cyclopropyl]methanesulfonamide
SMILESCS(=O)(=O)NC1(CN)CC1
InChIInChI=1S/C5H12N2O2S/c1-10(8,9)7-5(4-6)2-3-5/h7H,2-4,6H2,1H3
InChIKeySPZUXJBRBOEALJ-UHFFFAOYSA-N
XLogP-0.97
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 5-0.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)methanesulfonamide hydrochloride
CID 54592675
N-(2-amino-2-methylpropyl)methanesulfonamide hydrochloride
CID 137838148
N-(1-amino-2-methylpropan-2-yl)methanesulfonamide
CID 51975222
N-(2-amino-2-methylpropyl)methanesulfonamide
CID 54269131
N-[1-(aminomethyl)cyclopropyl]-1,1,1-trifluoromethanesulfonamide
CID 118692691
N-[1-(aminomethyl)cyclopropyl]-1,1-difluoromethanesulfonamide
CID 116350614
N-(cyclopropylmethyl)methanesulfonamide
CID 56998226
N-[(1R,2R)-2-methylcyclopropyl]methanesulfonamide
CID 59617939
N-[(1S,2S)-2-methylcyclopropyl]methanesulfonamide
CID 59618367
N-(2-aminobutyl)methanesulfonamide
CID 63730971
N-(2-amino-2-cyclopropylethyl)methanesulfonamide
CID 63766606
N-(1-amino-2-methylpropan-2-yl)cyclopropanesulfonamide
CID 64553645

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopropyl]methanesulfonamide?
The IUPAC name of N-[1-(aminomethyl)cyclopropyl]methanesulfonamide (CID 67149039) is N-[1-(aminomethyl)cyclopropyl]methanesulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclopropyl]methanesulfonamide?
The canonical SMILES for N-[1-(aminomethyl)cyclopropyl]methanesulfonamide is CS(=O)(=O)NC1(CN)CC1.
What is the InChIKey of N-[1-(aminomethyl)cyclopropyl]methanesulfonamide?
The InChIKey is SPZUXJBRBOEALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2S/c1-10(8,9)7-5(4-6)2-3-5/h7H,2-4,6H2,1H3.
What are the key properties of N-[1-(aminomethyl)cyclopropyl]methanesulfonamide?
N-[1-(aminomethyl)cyclopropyl]methanesulfonamide has a molecular weight of 164.23 g/mol, XLogP of -0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopropyl]methanesulfonamide is sourced from PubChem (CID 67149039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).