4-methylsulfonyl-1-phenylpentan-3-amine

C12H19NO2S — CID 115794244

IUPAC4-methylsulfonyl-1-phenylpentan-3-amine
SMILESCC(C(N)CCc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C12H19NO2S/c1-10(16(2,14)15)12(13)9-8-11-6-4-3-5-7-11/h3-7,10,12H,8-9,13H2,1-2H3
InChIKeyRKRMIBNMAUHQPM-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.38
Rot. Bonds5

About 4-methylsulfonyl-1-phenylpentan-3-amine

4-methylsulfonyl-1-phenylpentan-3-amine (PubChem CID 115794244) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is 4-methylsulfonyl-1-phenylpentan-3-amine.

Molecular Properties

Compound Name4-methylsulfonyl-1-phenylpentan-3-amine
PubChem CID115794244
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC Name4-methylsulfonyl-1-phenylpentan-3-amine
SMILESCC(C(N)CCc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C12H19NO2S/c1-10(16(2,14)15)12(13)9-8-11-6-4-3-5-7-11/h3-7,10,12H,8-9,13H2,1-2H3
InChIKeyRKRMIBNMAUHQPM-UHFFFAOYSA-N
XLogP1.38
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methylsulfonyl-4-phenylbutan-2-amine
CID 115601043
(2S)-4-phenylbutan-2-amine
CID 6994564
4-methyl-4-methylsulfonyl-1-phenylpentan-3-amine
CID 115794021
3-phosphorosobutylbenzene
CID 165430186
1,1-dimethoxy-4-phenylbutan-2-amine
CID 68520793
4-phenylbutan-2-yl sulfamate
CID 24761702
2-amino-N-methyl-4-phenyl-N-propan-2-ylbutanamide
CID 114924872
(2R)-4-phenylbutane-2-thiol
CID 28974861
2-(2-phenylethyl)propanediamide
CID 66660020
3-amino-2-hydroxy-5-phenylpentanoic acid
CID 22182665
(3S)-1,6-diphenyl-4-(3-propan-2-ylphenyl)hexan-3-amine
CID 173298083
1-(3-methoxyphenyl)-3-methylsulfonylbutan-2-amine
CID 113422144

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonyl-1-phenylpentan-3-amine?
The IUPAC name of 4-methylsulfonyl-1-phenylpentan-3-amine (CID 115794244) is 4-methylsulfonyl-1-phenylpentan-3-amine.
What is the SMILES notation for 4-methylsulfonyl-1-phenylpentan-3-amine?
The canonical SMILES for 4-methylsulfonyl-1-phenylpentan-3-amine is CC(C(N)CCc1ccccc1)S(C)(=O)=O.
What is the InChIKey of 4-methylsulfonyl-1-phenylpentan-3-amine?
The InChIKey is RKRMIBNMAUHQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-10(16(2,14)15)12(13)9-8-11-6-4-3-5-7-11/h3-7,10,12H,8-9,13H2,1-2H3.
What are the key properties of 4-methylsulfonyl-1-phenylpentan-3-amine?
4-methylsulfonyl-1-phenylpentan-3-amine has a molecular weight of 241.36 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonyl-1-phenylpentan-3-amine is sourced from PubChem (CID 115794244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).