N-[4-(aminomethyl)phenyl]-N-cyclopropylmethanesulfonamide

C11H16N2O2S — CID 43276085

IUPACN-[4-(aminomethyl)phenyl]-N-cyclopropylmethanesulfonamide
SMILESCS(=O)(=O)N(c1ccc(CN)cc1)C1CC1
InChIInChI=1S/C11H16N2O2S/c1-16(14,15)13(11-6-7-11)10-4-2-9(8-12)3-5-10/h2-5,11H,6-8,12H2,1H3
InChIKeyXFENGMPGCWNOCG-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.07
Rot. Bonds4

About N-[4-(aminomethyl)phenyl]-N-cyclopropylmethanesulfonamide

N-[4-(aminomethyl)phenyl]-N-cyclopropylmethanesulfonamide (PubChem CID 43276085) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-N-cyclopropylmethanesulfonamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-N-cyclopropylmethanesulfonamide
PubChem CID43276085
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC NameN-[4-(aminomethyl)phenyl]-N-cyclopropylmethanesulfonamide
SMILESCS(=O)(=O)N(c1ccc(CN)cc1)C1CC1
InChIInChI=1S/C11H16N2O2S/c1-16(14,15)13(11-6-7-11)10-4-2-9(8-12)3-5-10/h2-5,11H,6-8,12H2,1H3
InChIKeyXFENGMPGCWNOCG-UHFFFAOYSA-N
XLogP1.07
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(aminomethyl)phenyl]-N-cyclopropyl-1-methylpyrazole-4-sulfonamide
CID 62061535
N-[4-(aminomethyl)phenyl]-N-cyclopropylmorpholine-4-sulfonamide
CID 43276077
4-(aminomethyl)-N-cyclopentyl-N-cyclopropylaniline
CID 43276221
1-[4-(aminomethyl)-N-cyclopropylanilino]-3-methylbutan-2-ol
CID 114249457
ethyl N-[4-(aminomethyl)phenyl]-N-cyclopropylcarbamate
CID 43276107
N-[4-(aminomethyl)phenyl]-N-propan-2-ylcyclohexanesulfonamide
CID 61065296
N-[4-[cyclopropyl(methylsulfonyl)amino]phenyl]benzamide
CID 113094359
4-(aminomethyl)-N-(3,4-dimethylcyclohexyl)-N-propan-2-ylaniline
CID 64740354
N-(5-amino-2-pyridinyl)-N-cyclopropylmethanesulfonamide
CID 115268228
4-(aminomethyl)-N-ethyl-N-(2-ethylsulfonylethyl)aniline
CID 43807520
N-[4-(aminomethyl)phenyl]-N-cyclopropyl-2-ethoxyacetamide
CID 43276024
2-[4-(aminomethyl)-N-cyclopropylanilino]-N,N-diethylacetamide
CID 43276216

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-N-cyclopropylmethanesulfonamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-N-cyclopropylmethanesulfonamide (CID 43276085) is N-[4-(aminomethyl)phenyl]-N-cyclopropylmethanesulfonamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-N-cyclopropylmethanesulfonamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-N-cyclopropylmethanesulfonamide is CS(=O)(=O)N(c1ccc(CN)cc1)C1CC1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-N-cyclopropylmethanesulfonamide?
The InChIKey is XFENGMPGCWNOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-16(14,15)13(11-6-7-11)10-4-2-9(8-12)3-5-10/h2-5,11H,6-8,12H2,1H3.
What are the key properties of N-[4-(aminomethyl)phenyl]-N-cyclopropylmethanesulfonamide?
N-[4-(aminomethyl)phenyl]-N-cyclopropylmethanesulfonamide has a molecular weight of 240.33 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-N-cyclopropylmethanesulfonamide is sourced from PubChem (CID 43276085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).