N-[(2-methylsulfonylphenyl)-naphthalen-1-ylmethyl]cyclohexanamine

C24H27NO2S — CID 139791676

IUPACN-[(2-methylsulfonylphenyl)-naphthalen-1-ylmethyl]cyclohexanamine
SMILESCS(=O)(=O)c1ccccc1C(NC1CCCCC1)c1cccc2ccccc12
InChIInChI=1S/C24H27NO2S/c1-28(26,27)23-17-8-7-15-22(23)24(25-19-12-3-2-4-13-19)21-16-9-11-18-10-5-6-14-20(18)21/h5-11,14-17,19,24-25H,2-4,12-13H2,1H3
InChIKeyWMORWDWYXQGLHE-UHFFFAOYSA-N
MW393.55 g/mol
LogP5.26
Rot. Bonds5

About N-[(2-methylsulfonylphenyl)-naphthalen-1-ylmethyl]cyclohexanamine

N-[(2-methylsulfonylphenyl)-naphthalen-1-ylmethyl]cyclohexanamine (PubChem CID 139791676) has the molecular formula C24H27NO2S and a molecular weight of 393.55 g/mol. Its IUPAC name is N-[(2-methylsulfonylphenyl)-naphthalen-1-ylmethyl]cyclohexanamine.

Molecular Properties

Compound NameN-[(2-methylsulfonylphenyl)-naphthalen-1-ylmethyl]cyclohexanamine
PubChem CID139791676
Molecular FormulaC24H27NO2S
Molecular Weight393.55 g/mol
Exact Mass393.18
IUPAC NameN-[(2-methylsulfonylphenyl)-naphthalen-1-ylmethyl]cyclohexanamine
SMILESCS(=O)(=O)c1ccccc1C(NC1CCCCC1)c1cccc2ccccc12
InChIInChI=1S/C24H27NO2S/c1-28(26,27)23-17-8-7-15-22(23)24(25-19-12-3-2-4-13-19)21-16-9-11-18-10-5-6-14-20(18)21/h5-11,14-17,19,24-25H,2-4,12-13H2,1H3
InChIKeyWMORWDWYXQGLHE-UHFFFAOYSA-N
XLogP5.26
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.55
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-{2-[(Naphthalen-1-ylmethyl)amino]ethyl}benzenesulfonamide
CID 4718107
N-{[(4-methylphenyl)sulfonyl]methyl}-2-naphthalenecarbothioamide
CID 1006357
N-(4-{[(Naphthalen-1-ylmethyl)-amino]-methyl}-cyclohexylmethyl)-2-trifluoromethyl-benzenesulfonamide
CID 21336503
N-(4-{[(Naphthalen-2-ylmethyl)-amino]-methyl}-cyclohexylmethyl)-2-trifluoromethyl-benzenesulfonamide
CID 21336507
[1-(Naphthalene-1-sulfonyl)-piperidin-4-ylmethyl]-naphthalen-2-ylmethyl-amine
CID 44271556
N,N'-bis[(2-methylsulfanylnaphthalen-1-yl)methyl]hexane-1,6-diamine;methanesulfonic acid
CID 44531670
N,N'-bis[2-(2-methylsulfanylnaphthalen-1-yl)ethyl]butane-1,4-diamine;methanesulfonic acid
CID 44531677
N,N'-bis[(1-butylsulfanylnaphthalen-2-yl)methyl]hexane-1,6-diamine;methanesulfonic acid
CID 44531739
N,N'-bis[(4-butylsulfanylnaphthalen-1-yl)methyl]hexane-1,6-diamine;methanesulfonic acid
CID 44531741
4-[4-(Benzenesulfonyl)naphthalen-1-yl]piperidine
CID 118712408
N-[2-(4-aminobutylamino)ethyl]-N-(anthracen-9-ylmethyl)-4-methylbenzenesulfonamide
CID 10917750
N-[5-(4-aminobutylamino)pentyl]-N-(anthracen-9-ylmethyl)-4-methylbenzenesulfonamide
CID 10929381

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylsulfonylphenyl)-naphthalen-1-ylmethyl]cyclohexanamine?
The IUPAC name of N-[(2-methylsulfonylphenyl)-naphthalen-1-ylmethyl]cyclohexanamine (CID 139791676) is N-[(2-methylsulfonylphenyl)-naphthalen-1-ylmethyl]cyclohexanamine.
What is the SMILES notation for N-[(2-methylsulfonylphenyl)-naphthalen-1-ylmethyl]cyclohexanamine?
The canonical SMILES for N-[(2-methylsulfonylphenyl)-naphthalen-1-ylmethyl]cyclohexanamine is CS(=O)(=O)c1ccccc1C(NC1CCCCC1)c1cccc2ccccc12.
What is the InChIKey of N-[(2-methylsulfonylphenyl)-naphthalen-1-ylmethyl]cyclohexanamine?
The InChIKey is WMORWDWYXQGLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO2S/c1-28(26,27)23-17-8-7-15-22(23)24(25-19-12-3-2-4-13-19)21-16-9-11-18-10-5-6-14-20(18)21/h5-11,14-17,19,24-25H,2-4,12-13H2,1H3.
What are the key properties of N-[(2-methylsulfonylphenyl)-naphthalen-1-ylmethyl]cyclohexanamine?
N-[(2-methylsulfonylphenyl)-naphthalen-1-ylmethyl]cyclohexanamine has a molecular weight of 393.55 g/mol, XLogP of 5.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylsulfonylphenyl)-naphthalen-1-ylmethyl]cyclohexanamine is sourced from PubChem (CID 139791676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).