6-methylsulfonyl-1-phenoxyhexan-3-amine

C13H21NO3S — CID 63192307

IUPAC6-methylsulfonyl-1-phenoxyhexan-3-amine
SMILESCS(=O)(=O)CCCC(N)CCOc1ccccc1
InChIInChI=1S/C13H21NO3S/c1-18(15,16)11-5-6-12(14)9-10-17-13-7-3-2-4-8-13/h2-4,7-8,12H,5-6,9-11,14H2,1H3
InChIKeyWRSSQFYXJAYGAQ-UHFFFAOYSA-N
MW271.38 g/mol
LogP1.61
Rot. Bonds8

About 6-methylsulfonyl-1-phenoxyhexan-3-amine

6-methylsulfonyl-1-phenoxyhexan-3-amine (PubChem CID 63192307) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is 6-methylsulfonyl-1-phenoxyhexan-3-amine.

Molecular Properties

Compound Name6-methylsulfonyl-1-phenoxyhexan-3-amine
PubChem CID63192307
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC Name6-methylsulfonyl-1-phenoxyhexan-3-amine
SMILESCS(=O)(=O)CCCC(N)CCOc1ccccc1
InChIInChI=1S/C13H21NO3S/c1-18(15,16)11-5-6-12(14)9-10-17-13-7-3-2-4-8-13/h2-4,7-8,12H,5-6,9-11,14H2,1H3
InChIKeyWRSSQFYXJAYGAQ-UHFFFAOYSA-N
XLogP1.61
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-methylsulfonyl-1-phenoxyhexan-3-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

4-(3-amino-6-phenoxyhexoxy)aniline
CID 20534953
(2S)-4-phenoxybutane-1,2-diamine
CID 131851229
4-(3-phenoxypropylsulfonyl)butan-2-amine
CID 81193496
2-amino-N-methyl-4-methylsulfonyl-N-(3-phenoxypropyl)butanamide;hydrochloride
CID 119956686
(1S)-1-[4-(3-methylsulfonylpropoxy)phenyl]ethanamine
CID 55190084
6-methylsulfonyl-1-propoxyhexan-3-amine
CID 105113081
1-(4-methoxyphenyl)-6-methylsulfonylhexan-3-amine
CID 115820668
5-phenoxy-1-phenylpentan-2-amine
CID 62935761
(2R)-2-amino-7-phenoxyheptane-1-thiol
CID 87875923
1-(2,2-difluoroethoxy)-6-methylsulfonylhexan-3-amine
CID 103149027
(2S)-2-amino-6-phenoxyhexane-1-thiol;hydrochloride
CID 87876325
1,1,1-trifluoro-5-phenoxypentan-3-amine
CID 115002824

Frequently Asked Questions

What is the IUPAC name of 6-methylsulfonyl-1-phenoxyhexan-3-amine?
The IUPAC name of 6-methylsulfonyl-1-phenoxyhexan-3-amine (CID 63192307) is 6-methylsulfonyl-1-phenoxyhexan-3-amine.
What is the SMILES notation for 6-methylsulfonyl-1-phenoxyhexan-3-amine?
The canonical SMILES for 6-methylsulfonyl-1-phenoxyhexan-3-amine is CS(=O)(=O)CCCC(N)CCOc1ccccc1.
What is the InChIKey of 6-methylsulfonyl-1-phenoxyhexan-3-amine?
The InChIKey is WRSSQFYXJAYGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S/c1-18(15,16)11-5-6-12(14)9-10-17-13-7-3-2-4-8-13/h2-4,7-8,12H,5-6,9-11,14H2,1H3.
What are the key properties of 6-methylsulfonyl-1-phenoxyhexan-3-amine?
6-methylsulfonyl-1-phenoxyhexan-3-amine has a molecular weight of 271.38 g/mol, XLogP of 1.61, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfonyl-1-phenoxyhexan-3-amine is sourced from PubChem (CID 63192307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).