4-(3-ethylsulfonylphenyl)heptan-1-amine

C15H25NO2S — CID 83926542

IUPAC4-(3-ethylsulfonylphenyl)heptan-1-amine
SMILESCCCC(CCCN)c1cccc(S(=O)(=O)CC)c1
InChIInChI=1S/C15H25NO2S/c1-3-7-13(9-6-11-16)14-8-5-10-15(12-14)19(17,18)4-2/h5,8,10,12-13H,3-4,6-7,9,11,16H2,1-2H3
InChIKeyCVWYUQORIBGPOR-UHFFFAOYSA-N
MW283.44 g/mol
LogP3.10
Rot. Bonds8

About 4-(3-ethylsulfonylphenyl)heptan-1-amine

4-(3-ethylsulfonylphenyl)heptan-1-amine (PubChem CID 83926542) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is 4-(3-ethylsulfonylphenyl)heptan-1-amine.

Molecular Properties

Compound Name4-(3-ethylsulfonylphenyl)heptan-1-amine
PubChem CID83926542
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC Name4-(3-ethylsulfonylphenyl)heptan-1-amine
SMILESCCCC(CCCN)c1cccc(S(=O)(=O)CC)c1
InChIInChI=1S/C15H25NO2S/c1-3-7-13(9-6-11-16)14-8-5-10-15(12-14)19(17,18)4-2/h5,8,10,12-13H,3-4,6-7,9,11,16H2,1-2H3
InChIKeyCVWYUQORIBGPOR-UHFFFAOYSA-N
XLogP3.10
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-aminoheptan-4-yl)phenol
CID 83930253
4-(3-methoxyphenyl)heptan-1-amine
CID 83928909
4-(4-methylsulfonylphenyl)heptan-1-amine
CID 83926289
3-dodecan-5-ylbenzenesulfonic acid
CID 57286794
4-(3,4-dimethylphenyl)heptan-1-amine
CID 83927883
1-[(Z)-non-6-en-4-yl]-3-propylsulfonylbenzene
CID 83926755
(3-octan-4-ylphenyl)methanamine
CID 142098371
3-hexan-3-yl-N-methylbenzenesulfonamide
CID 139318427
4-(4-chlorophenyl)heptan-1-amine
CID 83931131
4-(3-chlorophenyl)heptane-1,7-diamine
CID 170878710
1-butylsulfonyl-3-propan-2-ylbenzene
CID 126760572
4-(3,4-diethoxyphenyl)heptan-1-amine
CID 83923533

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethylsulfonylphenyl)heptan-1-amine?
The IUPAC name of 4-(3-ethylsulfonylphenyl)heptan-1-amine (CID 83926542) is 4-(3-ethylsulfonylphenyl)heptan-1-amine.
What is the SMILES notation for 4-(3-ethylsulfonylphenyl)heptan-1-amine?
The canonical SMILES for 4-(3-ethylsulfonylphenyl)heptan-1-amine is CCCC(CCCN)c1cccc(S(=O)(=O)CC)c1.
What is the InChIKey of 4-(3-ethylsulfonylphenyl)heptan-1-amine?
The InChIKey is CVWYUQORIBGPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-3-7-13(9-6-11-16)14-8-5-10-15(12-14)19(17,18)4-2/h5,8,10,12-13H,3-4,6-7,9,11,16H2,1-2H3.
What are the key properties of 4-(3-ethylsulfonylphenyl)heptan-1-amine?
4-(3-ethylsulfonylphenyl)heptan-1-amine has a molecular weight of 283.44 g/mol, XLogP of 3.10, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethylsulfonylphenyl)heptan-1-amine is sourced from PubChem (CID 83926542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).