N-[[1-(aminomethyl)cyclopropyl]methyl]-4-methylbenzenesulfonamide

C12H18N2O2S — CID 113313712

IUPACN-[[1-(aminomethyl)cyclopropyl]methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC2(CN)CC2)cc1
InChIInChI=1S/C12H18N2O2S/c1-10-2-4-11(5-3-10)17(15,16)14-9-12(8-13)6-7-12/h2-5,14H,6-9,13H2,1H3
InChIKeyLAMKWLIMHLQJPF-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.01
Rot. Bonds5

About N-[[1-(aminomethyl)cyclopropyl]methyl]-4-methylbenzenesulfonamide

N-[[1-(aminomethyl)cyclopropyl]methyl]-4-methylbenzenesulfonamide (PubChem CID 113313712) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclopropyl]methyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopropyl]methyl]-4-methylbenzenesulfonamide
PubChem CID113313712
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC NameN-[[1-(aminomethyl)cyclopropyl]methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC2(CN)CC2)cc1
InChIInChI=1S/C12H18N2O2S/c1-10-2-4-11(5-3-10)17(15,16)14-9-12(8-13)6-7-12/h2-5,14H,6-9,13H2,1H3
InChIKeyLAMKWLIMHLQJPF-UHFFFAOYSA-N
XLogP1.01
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(bromomethyl)cyclopropyl]methyl]-4-methylbenzenesulfonamide
CID 115456564
N-[[1-(aminomethyl)cyclopentyl]methyl]-3,4-dimethylbenzenesulfonamide
CID 115365882
N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-4-methylbenzenesulfonamide
CID 110292782
N-[(1-aminocyclohexyl)methyl]-4-methylbenzenesulfonamide;hydrochloride
CID 71757234
4-methyl-N-[(1-phenylcyclopropyl)methyl]benzenesulfonamide
CID 42269303
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-methylsulfonylbenzenesulfonamide
CID 115455389
N-(2-aminoethyl)-4-methylbenzenesulfonamide;hydrochloride
CID 42943458
4-hydroxy-N-[(1-propylcyclopropyl)methyl]benzenesulfonamide
CID 114101242
N-[[1-(aminomethyl)cyclopropyl]methyl]-4-methylsulfonylaniline
CID 113313747
4-chloro-N-[[1-(2-chloroethyl)cyclopropyl]methyl]benzenesulfonamide
CID 114758607
N-(bromomethyl)-4-methylbenzenesulfonamide
CID 20609777
N-(4-aminobutyl)-4-methylbenzenesulfonamide;hydrochloride
CID 120583806

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-4-methylbenzenesulfonamide (CID 113313712) is N-[[1-(aminomethyl)cyclopropyl]methyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopropyl]methyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[[1-(aminomethyl)cyclopropyl]methyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCC2(CN)CC2)cc1.
What is the InChIKey of N-[[1-(aminomethyl)cyclopropyl]methyl]-4-methylbenzenesulfonamide?
The InChIKey is LAMKWLIMHLQJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-10-2-4-11(5-3-10)17(15,16)14-9-12(8-13)6-7-12/h2-5,14H,6-9,13H2,1H3.
What are the key properties of N-[[1-(aminomethyl)cyclopropyl]methyl]-4-methylbenzenesulfonamide?
N-[[1-(aminomethyl)cyclopropyl]methyl]-4-methylbenzenesulfonamide has a molecular weight of 254.35 g/mol, XLogP of 1.01, 5 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]-4-methylbenzenesulfonamide is sourced from PubChem (CID 113313712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).