N-benzyl-1-methylsulfonylazepan-4-amine

C14H22N2O2S — CID 155523814

IUPACN-benzyl-1-methylsulfonylazepan-4-amine
SMILESCS(=O)(=O)N1CCCC(NCc2ccccc2)CC1
InChIInChI=1S/C14H22N2O2S/c1-19(17,18)16-10-5-8-14(9-11-16)15-12-13-6-3-2-4-7-13/h2-4,6-7,14-15H,5,8-12H2,1H3
InChIKeyCDGFWVWZPIOXIK-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.59
Rot. Bonds4

About N-benzyl-1-methylsulfonylazepan-4-amine

N-benzyl-1-methylsulfonylazepan-4-amine (PubChem CID 155523814) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-benzyl-1-methylsulfonylazepan-4-amine.

Molecular Properties

Compound NameN-benzyl-1-methylsulfonylazepan-4-amine
PubChem CID155523814
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC NameN-benzyl-1-methylsulfonylazepan-4-amine
SMILESCS(=O)(=O)N1CCCC(NCc2ccccc2)CC1
InChIInChI=1S/C14H22N2O2S/c1-19(17,18)16-10-5-8-14(9-11-16)15-12-13-6-3-2-4-7-13/h2-4,6-7,14-15H,5,8-12H2,1H3
InChIKeyCDGFWVWZPIOXIK-UHFFFAOYSA-N
XLogP1.59
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-Phenylethyl)methanesulfonamide
CID 380740
N-[2-(2-Fluoro-phenyl)-2-(4-methyl-piperazin-1-yl)-ethyl]-methanesulfonamide
CID 44404538
2-(benzylamino)-N-cyclohexylethanesulfonamide
CID 45479973
N-benzyl-2-(octylamino)ethanesulfonamide
CID 45479985
N-benzyl-2-(butylamino)ethanesulfonamide
CID 45479989
N-(1-benzylpiperidin-4-yl)methanesulfonamide
CID 669036
N-benzyl-N-isopropyl-N',N'-dimethylsulfamide
CID 669852
2-(benzylamino)-N-octylethanesulfonamide
CID 45479974
9-Benzyl-3-methylene-1,5-bis(methylsulfonyl)-1,5,9-triazacyclododecane
CID 503883
N-[(1S)-1-phenylethyl]methanesulfonamide
CID 10655615
2-Phenyl-1,4-diazepane
CID 2771750
1-Benzylazepan-4-amine
CID 18946188

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-methylsulfonylazepan-4-amine?
The IUPAC name of N-benzyl-1-methylsulfonylazepan-4-amine (CID 155523814) is N-benzyl-1-methylsulfonylazepan-4-amine.
What is the SMILES notation for N-benzyl-1-methylsulfonylazepan-4-amine?
The canonical SMILES for N-benzyl-1-methylsulfonylazepan-4-amine is CS(=O)(=O)N1CCCC(NCc2ccccc2)CC1.
What is the InChIKey of N-benzyl-1-methylsulfonylazepan-4-amine?
The InChIKey is CDGFWVWZPIOXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-19(17,18)16-10-5-8-14(9-11-16)15-12-13-6-3-2-4-7-13/h2-4,6-7,14-15H,5,8-12H2,1H3.
What are the key properties of N-benzyl-1-methylsulfonylazepan-4-amine?
N-benzyl-1-methylsulfonylazepan-4-amine has a molecular weight of 282.41 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-methylsulfonylazepan-4-amine is sourced from PubChem (CID 155523814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).