N-[3-[1-(aminomethyl)cyclopropyl]phenyl]methanesulfonamide

C11H16N2O2S — CID 117353694

IUPACN-[3-[1-(aminomethyl)cyclopropyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(C2(CN)CC2)c1
InChIInChI=1S/C11H16N2O2S/c1-16(14,15)13-10-4-2-3-9(7-10)11(8-12)5-6-11/h2-4,7,13H,5-6,8,12H2,1H3
InChIKeyYTUYYXNLURNFKH-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.05
Rot. Bonds4

About N-[3-[1-(aminomethyl)cyclopropyl]phenyl]methanesulfonamide

N-[3-[1-(aminomethyl)cyclopropyl]phenyl]methanesulfonamide (PubChem CID 117353694) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is N-[3-[1-(aminomethyl)cyclopropyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[1-(aminomethyl)cyclopropyl]phenyl]methanesulfonamide
PubChem CID117353694
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC NameN-[3-[1-(aminomethyl)cyclopropyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(C2(CN)CC2)c1
InChIInChI=1S/C11H16N2O2S/c1-16(14,15)13-10-4-2-3-9(7-10)11(8-12)5-6-11/h2-4,7,13H,5-6,8,12H2,1H3
InChIKeyYTUYYXNLURNFKH-UHFFFAOYSA-N
XLogP1.05
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(methanesulfonamido)phenyl]cyclopentane-1-carboxylic acid
CID 117455529
N-[3-(aminomethyl)phenyl]methanesulfonamide
CID 10495443
1-(aminomethyl)-N-[3-(methanesulfonamido)phenyl]cyclopentane-1-carboxamide
CID 81486575
3-[1-(aminomethyl)cyclopropyl]aniline
CID 82275301
[1-[3-[1-(aminomethyl)cyclopropyl]phenyl]cyclopropyl]methanol
CID 117112180
N-[3-(6-propyl-3-azabicyclo[3.1.0]hexan-6-yl)phenyl]methanesulfonamide
CID 22139930
N-[3-(3,6-diethyl-3-azabicyclo[3.1.0]hexan-6-yl)phenyl]methanesulfonamide
CID 59878281
N-[3-[6-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-5-oxo-7,8-dihydropyrido[4,3-d]pyrimidin-2-yl]phenyl]methanesulfonamide
CID 71184637
N-[3-(3-aminoprop-1-ynyl)phenyl]methanesulfonamide;hydrochloride
CID 42961325
lithium 3-(methanesulfonamido)benzenesulfonate
CID 58858821
N-[3-[6-methyl-3-(1-thiophen-2-ylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide
CID 70239332
N-[3-(1-aminoethyl)phenyl]methanesulfonamide;hydrochloride
CID 42941938

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(aminomethyl)cyclopropyl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[1-(aminomethyl)cyclopropyl]phenyl]methanesulfonamide (CID 117353694) is N-[3-[1-(aminomethyl)cyclopropyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[1-(aminomethyl)cyclopropyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[1-(aminomethyl)cyclopropyl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1cccc(C2(CN)CC2)c1.
What is the InChIKey of N-[3-[1-(aminomethyl)cyclopropyl]phenyl]methanesulfonamide?
The InChIKey is YTUYYXNLURNFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-16(14,15)13-10-4-2-3-9(7-10)11(8-12)5-6-11/h2-4,7,13H,5-6,8,12H2,1H3.
What are the key properties of N-[3-[1-(aminomethyl)cyclopropyl]phenyl]methanesulfonamide?
N-[3-[1-(aminomethyl)cyclopropyl]phenyl]methanesulfonamide has a molecular weight of 240.33 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(aminomethyl)cyclopropyl]phenyl]methanesulfonamide is sourced from PubChem (CID 117353694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).