4-(4-methylsulfonylphenyl)heptan-1-amine

C14H23NO2S — CID 83926289

IUPAC4-(4-methylsulfonylphenyl)heptan-1-amine
SMILESCCCC(CCCN)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C14H23NO2S/c1-3-5-12(6-4-11-15)13-7-9-14(10-8-13)18(2,16)17/h7-10,12H,3-6,11,15H2,1-2H3
InChIKeyXVCLLUAAMQKTHJ-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.71
Rot. Bonds7

About 4-(4-methylsulfonylphenyl)heptan-1-amine

4-(4-methylsulfonylphenyl)heptan-1-amine (PubChem CID 83926289) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is 4-(4-methylsulfonylphenyl)heptan-1-amine.

Molecular Properties

Compound Name4-(4-methylsulfonylphenyl)heptan-1-amine
PubChem CID83926289
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC Name4-(4-methylsulfonylphenyl)heptan-1-amine
SMILESCCCC(CCCN)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C14H23NO2S/c1-3-5-12(6-4-11-15)13-7-9-14(10-8-13)18(2,16)17/h7-10,12H,3-6,11,15H2,1-2H3
InChIKeyXVCLLUAAMQKTHJ-UHFFFAOYSA-N
XLogP2.71
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-chlorophenyl)heptan-1-amine
CID 83931131
4-(4-propylphenyl)heptan-1-amine
CID 83921500
1-methylsulfonyl-4-[(Z)-non-6-en-4-yl]benzene
CID 83926368
4-(3-ethylsulfonylphenyl)heptan-1-amine
CID 83926542
sodium 4-heptan-4-ylbenzenesulfonate
CID 164851730
N,N-dimethyl-2-(4-methylsulfonylphenyl)butane-1,4-diamine
CID 112517542
sodium 4-hexadecan-4-ylbenzenesulfonate
CID 164851731
4-(3,4-dimethylphenyl)heptan-1-amine
CID 83927883
1-(4-methylsulfonylphenyl)pentan-1-amine;hydrochloride
CID 162344236
1-(4-methylsulfonylphenyl)hexan-1-amine
CID 115837394
4-(4-hexoxyphenyl)heptan-1-amine
CID 83932661
4-decan-5-ylbenzenesulfonate
CID 140652920

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylsulfonylphenyl)heptan-1-amine?
The IUPAC name of 4-(4-methylsulfonylphenyl)heptan-1-amine (CID 83926289) is 4-(4-methylsulfonylphenyl)heptan-1-amine.
What is the SMILES notation for 4-(4-methylsulfonylphenyl)heptan-1-amine?
The canonical SMILES for 4-(4-methylsulfonylphenyl)heptan-1-amine is CCCC(CCCN)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 4-(4-methylsulfonylphenyl)heptan-1-amine?
The InChIKey is XVCLLUAAMQKTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-3-5-12(6-4-11-15)13-7-9-14(10-8-13)18(2,16)17/h7-10,12H,3-6,11,15H2,1-2H3.
What are the key properties of 4-(4-methylsulfonylphenyl)heptan-1-amine?
4-(4-methylsulfonylphenyl)heptan-1-amine has a molecular weight of 269.41 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylsulfonylphenyl)heptan-1-amine is sourced from PubChem (CID 83926289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).