N-[[4-(aminomethyl)cyclohexyl]methyl]naphthalene-2-sulfonamide

C18H24N2O2S — CID 20599120

IUPACN-[[4-(aminomethyl)cyclohexyl]methyl]naphthalene-2-sulfonamide
SMILESNCC1CCC(CNS(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C18H24N2O2S/c19-12-14-5-7-15(8-6-14)13-20-23(21,22)18-10-9-16-3-1-2-4-17(16)11-18/h1-4,9-11,14-15,20H,5-8,12-13,19H2
InChIKeyZLJYERMFRNCARL-UHFFFAOYSA-N
MW332.47 g/mol
LogP2.88
Rot. Bonds5

About N-[[4-(aminomethyl)cyclohexyl]methyl]naphthalene-2-sulfonamide

N-[[4-(aminomethyl)cyclohexyl]methyl]naphthalene-2-sulfonamide (PubChem CID 20599120) has the molecular formula C18H24N2O2S and a molecular weight of 332.47 g/mol. Its IUPAC name is N-[[4-(aminomethyl)cyclohexyl]methyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[[4-(aminomethyl)cyclohexyl]methyl]naphthalene-2-sulfonamide
PubChem CID20599120
Molecular FormulaC18H24N2O2S
Molecular Weight332.47 g/mol
Exact Mass332.16
IUPAC NameN-[[4-(aminomethyl)cyclohexyl]methyl]naphthalene-2-sulfonamide
SMILESNCC1CCC(CNS(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C18H24N2O2S/c19-12-14-5-7-15(8-6-14)13-20-23(21,22)18-10-9-16-3-1-2-4-17(16)11-18/h1-4,9-11,14-15,20H,5-8,12-13,19H2
InChIKeyZLJYERMFRNCARL-UHFFFAOYSA-N
XLogP2.88
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[(naphthalen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxylate
CID 155295839
N-[[4-(aminomethyl)cyclohexyl]methyl]-4-methylbenzenesulfonamide
CID 71213352
N-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]naphthalene-2-sulfonamide
CID 126468259
N-[2-(naphthalen-2-ylsulfonylamino)ethyl]naphthalene-2-sulfonamide
CID 30170513
3-(aminomethyl)-N-(cyclopropylmethyl)benzenesulfonamide
CID 16794301
N-[[4-[[(4-amino-8-methoxyquinazolin-2-yl)amino]methyl]cyclohexyl]methyl]naphthalene-2-sulfonamide
CID 139925321
N-[(1-prop-2-ynylpiperidin-3-yl)methyl]naphthalene-2-sulfonamide
CID 134146126
[2-(cyclohexylmethylamino)-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate
CID 7906475
N-[3-[2-(aminomethyl)pyrrolidin-1-yl]-3-oxopropyl]naphthalene-2-sulfonamide
CID 119633298
(1-naphthalen-2-ylsulfonylpyrrolidin-3-yl)methanamine
CID 62063398
N-(2-amino-1-cyclopropylethyl)naphthalene-2-sulfonamide
CID 65188771
N-[3-[2-(aminomethyl)piperidin-1-yl]-3-oxopropyl]naphthalene-2-sulfonamide
CID 119468452

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)cyclohexyl]methyl]naphthalene-2-sulfonamide?
The IUPAC name of N-[[4-(aminomethyl)cyclohexyl]methyl]naphthalene-2-sulfonamide (CID 20599120) is N-[[4-(aminomethyl)cyclohexyl]methyl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[[4-(aminomethyl)cyclohexyl]methyl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[[4-(aminomethyl)cyclohexyl]methyl]naphthalene-2-sulfonamide is NCC1CCC(CNS(=O)(=O)c2ccc3ccccc3c2)CC1.
What is the InChIKey of N-[[4-(aminomethyl)cyclohexyl]methyl]naphthalene-2-sulfonamide?
The InChIKey is ZLJYERMFRNCARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2S/c19-12-14-5-7-15(8-6-14)13-20-23(21,22)18-10-9-16-3-1-2-4-17(16)11-18/h1-4,9-11,14-15,20H,5-8,12-13,19H2.
What are the key properties of N-[[4-(aminomethyl)cyclohexyl]methyl]naphthalene-2-sulfonamide?
N-[[4-(aminomethyl)cyclohexyl]methyl]naphthalene-2-sulfonamide has a molecular weight of 332.47 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)cyclohexyl]methyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 20599120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).