3-(3-methoxyphenyl)sulfonylheptan-4-amine

C14H23NO3S — CID 64646750

IUPAC3-(3-methoxyphenyl)sulfonylheptan-4-amine
SMILESCCCC(N)C(CC)S(=O)(=O)c1cccc(OC)c1
InChIInChI=1S/C14H23NO3S/c1-4-7-13(15)14(5-2)19(16,17)12-9-6-8-11(10-12)18-3/h6,8-10,13-14H,4-5,7,15H2,1-3H3
InChIKeyZKPXPIBRLHEETI-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.37
Rot. Bonds7

About 3-(3-methoxyphenyl)sulfonylheptan-4-amine

3-(3-methoxyphenyl)sulfonylheptan-4-amine (PubChem CID 64646750) has the molecular formula C14H23NO3S and a molecular weight of 285.41 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)sulfonylheptan-4-amine.

Molecular Properties

Compound Name3-(3-methoxyphenyl)sulfonylheptan-4-amine
PubChem CID64646750
Molecular FormulaC14H23NO3S
Molecular Weight285.41 g/mol
Exact Mass285.14
IUPAC Name3-(3-methoxyphenyl)sulfonylheptan-4-amine
SMILESCCCC(N)C(CC)S(=O)(=O)c1cccc(OC)c1
InChIInChI=1S/C14H23NO3S/c1-4-7-13(15)14(5-2)19(16,17)12-9-6-8-11(10-12)18-3/h6,8-10,13-14H,4-5,7,15H2,1-3H3
InChIKeyZKPXPIBRLHEETI-UHFFFAOYSA-N
XLogP2.37
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-naphthalen-2-ylsulfonylheptan-4-amine
CID 64644938
1-methoxy-3-(4-methylheptylsulfonyl)benzene
CID 143090570
(1R,2S)-2-amino-1-(3-methoxyphenyl)pentan-1-ol;hydrochloride
CID 66812884
3-methoxybenzenesulfonamide
CID 14763060
3-methoxybenzenesulfonamide;hydrochloride
CID 141115301
3-(2-chlorophenyl)sulfonylheptan-4-amine
CID 64638212
1-(3-methoxyphenyl)sulfonyl-N-propylpentan-2-amine
CID 64645556
3-(benzenesulfonyl)heptan-4-ol
CID 62918058
1-(3,3-diethoxypropylsulfonyl)-3-methoxybenzene
CID 64643692
1-(fluoromethylsulfonyl)-3-methoxybenzene
CID 84721809
N-(2-ethyl-4-hydroxybutyl)-3-methoxybenzenesulfonamide
CID 81259105
(2S)-1-(3-methoxyphenyl)pentan-2-amine
CID 89063549

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)sulfonylheptan-4-amine?
The IUPAC name of 3-(3-methoxyphenyl)sulfonylheptan-4-amine (CID 64646750) is 3-(3-methoxyphenyl)sulfonylheptan-4-amine.
What is the SMILES notation for 3-(3-methoxyphenyl)sulfonylheptan-4-amine?
The canonical SMILES for 3-(3-methoxyphenyl)sulfonylheptan-4-amine is CCCC(N)C(CC)S(=O)(=O)c1cccc(OC)c1.
What is the InChIKey of 3-(3-methoxyphenyl)sulfonylheptan-4-amine?
The InChIKey is ZKPXPIBRLHEETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3S/c1-4-7-13(15)14(5-2)19(16,17)12-9-6-8-11(10-12)18-3/h6,8-10,13-14H,4-5,7,15H2,1-3H3.
What are the key properties of 3-(3-methoxyphenyl)sulfonylheptan-4-amine?
3-(3-methoxyphenyl)sulfonylheptan-4-amine has a molecular weight of 285.41 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)sulfonylheptan-4-amine is sourced from PubChem (CID 64646750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).