3-naphthalen-2-ylsulfonylheptan-4-amine

C17H23NO2S — CID 64644938

IUPAC3-naphthalen-2-ylsulfonylheptan-4-amine
SMILESCCCC(N)C(CC)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C17H23NO2S/c1-3-7-16(18)17(4-2)21(19,20)15-11-10-13-8-5-6-9-14(13)12-15/h5-6,8-12,16-17H,3-4,7,18H2,1-2H3
InChIKeyUZLCAPRXHWCBRF-UHFFFAOYSA-N
MW305.44 g/mol
LogP3.52
Rot. Bonds6

About 3-naphthalen-2-ylsulfonylheptan-4-amine

3-naphthalen-2-ylsulfonylheptan-4-amine (PubChem CID 64644938) has the molecular formula C17H23NO2S and a molecular weight of 305.44 g/mol. Its IUPAC name is 3-naphthalen-2-ylsulfonylheptan-4-amine.

Molecular Properties

Compound Name3-naphthalen-2-ylsulfonylheptan-4-amine
PubChem CID64644938
Molecular FormulaC17H23NO2S
Molecular Weight305.44 g/mol
Exact Mass305.14
IUPAC Name3-naphthalen-2-ylsulfonylheptan-4-amine
SMILESCCCC(N)C(CC)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C17H23NO2S/c1-3-7-16(18)17(4-2)21(19,20)15-11-10-13-8-5-6-9-14(13)12-15/h5-6,8-12,16-17H,3-4,7,18H2,1-2H3
InChIKeyUZLCAPRXHWCBRF-UHFFFAOYSA-N
XLogP3.52
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-naphthalen-2-ylsulfonylheptan-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-methoxyphenyl)sulfonylheptan-4-amine
CID 64646750
diethyl 2-naphthalen-2-ylsulfonylpropanedioate
CID 134066731
3-(2-chlorophenyl)sulfonylheptan-4-amine
CID 64638212
N-ethyl-4-naphthalen-2-ylsulfonylpentan-2-amine
CID 64705187
(1S)-1-naphthalen-2-ylbutan-1-amine
CID 55254735
3-(benzenesulfonyl)heptan-4-ol
CID 62918058
2-naphthalen-2-ylsulfonylpropanedinitrile
CID 20715344
(3S)-3-methyl-4-naphthalen-2-ylsulfonylbutan-1-ol
CID 69383125
2-(2-naphthalen-2-ylsulfonylsulfanylethylsulfanylsulfonyl)naphthalene
CID 581617
3-(6-chloronaphthalen-2-yl)sulfonylpentan-1-amine
CID 90863249
ethyl naphthalene-2-sulfonate;iron
CID 87451141
3-methyl-1-naphthalen-2-ylhexan-2-amine
CID 61080295

Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-2-ylsulfonylheptan-4-amine?
The IUPAC name of 3-naphthalen-2-ylsulfonylheptan-4-amine (CID 64644938) is 3-naphthalen-2-ylsulfonylheptan-4-amine.
What is the SMILES notation for 3-naphthalen-2-ylsulfonylheptan-4-amine?
The canonical SMILES for 3-naphthalen-2-ylsulfonylheptan-4-amine is CCCC(N)C(CC)S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of 3-naphthalen-2-ylsulfonylheptan-4-amine?
The InChIKey is UZLCAPRXHWCBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2S/c1-3-7-16(18)17(4-2)21(19,20)15-11-10-13-8-5-6-9-14(13)12-15/h5-6,8-12,16-17H,3-4,7,18H2,1-2H3.
What are the key properties of 3-naphthalen-2-ylsulfonylheptan-4-amine?
3-naphthalen-2-ylsulfonylheptan-4-amine has a molecular weight of 305.44 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-2-ylsulfonylheptan-4-amine is sourced from PubChem (CID 64644938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).