N-[[2-(aminomethyl)phenyl]methyl]-1-cyclopropylmethanesulfonamide

C12H18N2O2S — CID 64989311

IUPACN-[[2-(aminomethyl)phenyl]methyl]-1-cyclopropylmethanesulfonamide
SMILESNCc1ccccc1CNS(=O)(=O)CC1CC1
InChIInChI=1S/C12H18N2O2S/c13-7-11-3-1-2-4-12(11)8-14-17(15,16)9-10-5-6-10/h1-4,10,14H,5-9,13H2
InChIKeyZBVPZVQUFTYGSI-UHFFFAOYSA-N
MW254.35 g/mol
LogP0.97
Rot. Bonds6

About N-[[2-(aminomethyl)phenyl]methyl]-1-cyclopropylmethanesulfonamide

N-[[2-(aminomethyl)phenyl]methyl]-1-cyclopropylmethanesulfonamide (PubChem CID 64989311) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is N-[[2-(aminomethyl)phenyl]methyl]-1-cyclopropylmethanesulfonamide.

Molecular Properties

Compound NameN-[[2-(aminomethyl)phenyl]methyl]-1-cyclopropylmethanesulfonamide
PubChem CID64989311
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC NameN-[[2-(aminomethyl)phenyl]methyl]-1-cyclopropylmethanesulfonamide
SMILESNCc1ccccc1CNS(=O)(=O)CC1CC1
InChIInChI=1S/C12H18N2O2S/c13-7-11-3-1-2-4-12(11)8-14-17(15,16)9-10-5-6-10/h1-4,10,14H,5-9,13H2
InChIKeyZBVPZVQUFTYGSI-UHFFFAOYSA-N
XLogP0.97
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(aminomethyl)phenyl]methyl]methanesulfonamide
CID 62949532
N-[[2-(aminomethyl)phenyl]methyl]-1,1-dioxothiane-4-sulfonamide
CID 62950640
N-[[2-(aminomethyl)phenyl]methyl]-2-cyclopropylacetamide
CID 62952151
2-[2-(aminomethyl)phenyl]-N-(4-ethylcyclohexyl)acetamide
CID 81321943
1-(azetidin-2-yl)-N-[(2-hydroxyphenyl)methyl]methanesulfonamide
CID 115071276
1-(azetidin-2-yl)-N-[(2-chlorophenyl)methyl]methanesulfonamide
CID 115071274
1-(aminomethyl)-2-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]benzene
CID 62951963
N-[(2-hydroxyphenyl)methyl]-1-pyrrolidin-2-ylmethanesulfonamide
CID 115071289
N-[[2-(aminomethyl)phenyl]methyl]cyclopropanecarboxamide
CID 62952159
1-cyclobutyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]methanesulfonamide
CID 166206958
1-[2-(aminomethyl)phenyl]-N-(cyclopropylmethyl)-N-methylmethanesulfonamide
CID 54884458
N-[[2-(aminomethyl)phenyl]methyl]-1H-pyrrole-3-sulfonamide
CID 55157164

Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-1-cyclopropylmethanesulfonamide?
The IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-1-cyclopropylmethanesulfonamide (CID 64989311) is N-[[2-(aminomethyl)phenyl]methyl]-1-cyclopropylmethanesulfonamide.
What is the SMILES notation for N-[[2-(aminomethyl)phenyl]methyl]-1-cyclopropylmethanesulfonamide?
The canonical SMILES for N-[[2-(aminomethyl)phenyl]methyl]-1-cyclopropylmethanesulfonamide is NCc1ccccc1CNS(=O)(=O)CC1CC1.
What is the InChIKey of N-[[2-(aminomethyl)phenyl]methyl]-1-cyclopropylmethanesulfonamide?
The InChIKey is ZBVPZVQUFTYGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c13-7-11-3-1-2-4-12(11)8-14-17(15,16)9-10-5-6-10/h1-4,10,14H,5-9,13H2.
What are the key properties of N-[[2-(aminomethyl)phenyl]methyl]-1-cyclopropylmethanesulfonamide?
N-[[2-(aminomethyl)phenyl]methyl]-1-cyclopropylmethanesulfonamide has a molecular weight of 254.35 g/mol, XLogP of 0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)phenyl]methyl]-1-cyclopropylmethanesulfonamide is sourced from PubChem (CID 64989311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).