3-(4-methylsulfonylphenyl)sulfanylpentan-1-amine

C12H19NO2S2 — CID 63238314

IUPAC3-(4-methylsulfonylphenyl)sulfanylpentan-1-amine
SMILESCCC(CCN)Sc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C12H19NO2S2/c1-3-10(8-9-13)16-11-4-6-12(7-5-11)17(2,14)15/h4-7,10H,3,8-9,13H2,1-2H3
InChIKeyHNMJQPYNXQWUEX-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.31
Rot. Bonds6

About 3-(4-methylsulfonylphenyl)sulfanylpentan-1-amine

3-(4-methylsulfonylphenyl)sulfanylpentan-1-amine (PubChem CID 63238314) has the molecular formula C12H19NO2S2 and a molecular weight of 273.42 g/mol. Its IUPAC name is 3-(4-methylsulfonylphenyl)sulfanylpentan-1-amine.

Molecular Properties

Compound Name3-(4-methylsulfonylphenyl)sulfanylpentan-1-amine
PubChem CID63238314
Molecular FormulaC12H19NO2S2
Molecular Weight273.42 g/mol
Exact Mass273.09
IUPAC Name3-(4-methylsulfonylphenyl)sulfanylpentan-1-amine
SMILESCCC(CCN)Sc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C12H19NO2S2/c1-3-10(8-9-13)16-11-4-6-12(7-5-11)17(2,14)15/h4-7,10H,3,8-9,13H2,1-2H3
InChIKeyHNMJQPYNXQWUEX-UHFFFAOYSA-N
XLogP2.31
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(4-methylsulfonylphenyl)sulfanylpentan-1-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

N'-hydroxy-3-(4-methylsulfonylphenyl)sulfanylpentanimidamide
CID 76988584
2-(4-methylsulfonylphenyl)sulfanylbutanoic acid
CID 63238339
N-methyl-3-(4-methylsulfonylphenyl)sulfanylheptan-4-amine
CID 64628354
2-(4-methylsulfonylphenyl)sulfanyl-2-thiophen-2-ylethanamine
CID 63238348
[4-(4-methylsulfonylphenyl)sulfanylphenyl]methanamine
CID 63237915
3-(4-methylsulfonylphenyl)sulfanylbutan-2-one
CID 62403648
3-(4-methylsulfonylphenyl)sulfanylbutanehydrazide
CID 63591345
(1S)-1-[2-(4-methylsulfonylphenyl)sulfanylphenyl]propan-1-amine
CID 103719165
4-methyl-3-N-(4-methylsulfonylphenyl)pentane-1,3-diamine
CID 114178237
N,N-dimethyl-2-(4-methylsulfonylphenyl)butane-1,4-diamine
CID 112517542
4-(4-methylsulfonylphenyl)heptan-1-amine
CID 83926289
(1S)-1-(4-methylsulfonylphenyl)propan-1-amine;hydrochloride
CID 162344090

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylsulfonylphenyl)sulfanylpentan-1-amine?
The IUPAC name of 3-(4-methylsulfonylphenyl)sulfanylpentan-1-amine (CID 63238314) is 3-(4-methylsulfonylphenyl)sulfanylpentan-1-amine.
What is the SMILES notation for 3-(4-methylsulfonylphenyl)sulfanylpentan-1-amine?
The canonical SMILES for 3-(4-methylsulfonylphenyl)sulfanylpentan-1-amine is CCC(CCN)Sc1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 3-(4-methylsulfonylphenyl)sulfanylpentan-1-amine?
The InChIKey is HNMJQPYNXQWUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S2/c1-3-10(8-9-13)16-11-4-6-12(7-5-11)17(2,14)15/h4-7,10H,3,8-9,13H2,1-2H3.
What are the key properties of 3-(4-methylsulfonylphenyl)sulfanylpentan-1-amine?
3-(4-methylsulfonylphenyl)sulfanylpentan-1-amine has a molecular weight of 273.42 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylsulfonylphenyl)sulfanylpentan-1-amine is sourced from PubChem (CID 63238314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).