N-[[4-(methylaminomethyl)cyclohexyl]methyl]naphthalene-1-sulfonamide

C19H26N2O2S — CID 54086469

IUPACN-[[4-(methylaminomethyl)cyclohexyl]methyl]naphthalene-1-sulfonamide
SMILESCNCC1CCC(CNS(=O)(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C19H26N2O2S/c1-20-13-15-9-11-16(12-10-15)14-21-24(22,23)19-8-4-6-17-5-2-3-7-18(17)19/h2-8,15-16,20-21H,9-14H2,1H3
InChIKeyMQVQRGOTWMAQQP-UHFFFAOYSA-N
MW346.50 g/mol
LogP3.14
Rot. Bonds6

About N-[[4-(methylaminomethyl)cyclohexyl]methyl]naphthalene-1-sulfonamide

N-[[4-(methylaminomethyl)cyclohexyl]methyl]naphthalene-1-sulfonamide (PubChem CID 54086469) has the molecular formula C19H26N2O2S and a molecular weight of 346.50 g/mol. Its IUPAC name is N-[[4-(methylaminomethyl)cyclohexyl]methyl]naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-[[4-(methylaminomethyl)cyclohexyl]methyl]naphthalene-1-sulfonamide
PubChem CID54086469
Molecular FormulaC19H26N2O2S
Molecular Weight346.50 g/mol
Exact Mass346.17
IUPAC NameN-[[4-(methylaminomethyl)cyclohexyl]methyl]naphthalene-1-sulfonamide
SMILESCNCC1CCC(CNS(=O)(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C19H26N2O2S/c1-20-13-15-9-11-16(12-10-15)14-21-24(22,23)19-8-4-6-17-5-2-3-7-18(17)19/h2-8,15-16,20-21H,9-14H2,1H3
InChIKeyMQVQRGOTWMAQQP-UHFFFAOYSA-N
XLogP3.14
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(methylaminomethyl)cyclohexyl]methyl]naphthalene-1-sulfonamide?
The IUPAC name of N-[[4-(methylaminomethyl)cyclohexyl]methyl]naphthalene-1-sulfonamide (CID 54086469) is N-[[4-(methylaminomethyl)cyclohexyl]methyl]naphthalene-1-sulfonamide.
What is the SMILES notation for N-[[4-(methylaminomethyl)cyclohexyl]methyl]naphthalene-1-sulfonamide?
The canonical SMILES for N-[[4-(methylaminomethyl)cyclohexyl]methyl]naphthalene-1-sulfonamide is CNCC1CCC(CNS(=O)(=O)c2cccc3ccccc23)CC1.
What is the InChIKey of N-[[4-(methylaminomethyl)cyclohexyl]methyl]naphthalene-1-sulfonamide?
The InChIKey is MQVQRGOTWMAQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2S/c1-20-13-15-9-11-16(12-10-15)14-21-24(22,23)19-8-4-6-17-5-2-3-7-18(17)19/h2-8,15-16,20-21H,9-14H2,1H3.
What are the key properties of N-[[4-(methylaminomethyl)cyclohexyl]methyl]naphthalene-1-sulfonamide?
N-[[4-(methylaminomethyl)cyclohexyl]methyl]naphthalene-1-sulfonamide has a molecular weight of 346.50 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methylaminomethyl)cyclohexyl]methyl]naphthalene-1-sulfonamide is sourced from PubChem (CID 54086469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).