3-methyl-5-(3,3,3-trifluoropropylsulfonyl)pentan-1-amine

C9H18F3NO2S — CID 142791534

IUPAC3-methyl-5-(3,3,3-trifluoropropylsulfonyl)pentan-1-amine
SMILESCC(CCN)CCS(=O)(=O)CCC(F)(F)F
InChIInChI=1S/C9H18F3NO2S/c1-8(2-5-13)3-6-16(14,15)7-4-9(10,11)12/h8H,2-7,13H2,1H3
InChIKeyUHOBSFTWQXDEAF-UHFFFAOYSA-N
MW261.31 g/mol
LogP1.73
Rot. Bonds7

About 3-methyl-5-(3,3,3-trifluoropropylsulfonyl)pentan-1-amine

3-methyl-5-(3,3,3-trifluoropropylsulfonyl)pentan-1-amine (PubChem CID 142791534) has the molecular formula C9H18F3NO2S and a molecular weight of 261.31 g/mol. Its IUPAC name is 3-methyl-5-(3,3,3-trifluoropropylsulfonyl)pentan-1-amine.

Molecular Properties

Compound Name3-methyl-5-(3,3,3-trifluoropropylsulfonyl)pentan-1-amine
PubChem CID142791534
Molecular FormulaC9H18F3NO2S
Molecular Weight261.31 g/mol
Exact Mass261.10
IUPAC Name3-methyl-5-(3,3,3-trifluoropropylsulfonyl)pentan-1-amine
SMILESCC(CCN)CCS(=O)(=O)CCC(F)(F)F
InChIInChI=1S/C9H18F3NO2S/c1-8(2-5-13)3-6-16(14,15)7-4-9(10,11)12/h8H,2-7,13H2,1H3
InChIKeyUHOBSFTWQXDEAF-UHFFFAOYSA-N
XLogP1.73
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methyl-5-(3,3,3-trifluoropropylsulfonyl)pentan-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

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(3,3,3-trifluoropropylsulfonyl)pentan-1-amine?
The IUPAC name of 3-methyl-5-(3,3,3-trifluoropropylsulfonyl)pentan-1-amine (CID 142791534) is 3-methyl-5-(3,3,3-trifluoropropylsulfonyl)pentan-1-amine.
What is the SMILES notation for 3-methyl-5-(3,3,3-trifluoropropylsulfonyl)pentan-1-amine?
The canonical SMILES for 3-methyl-5-(3,3,3-trifluoropropylsulfonyl)pentan-1-amine is CC(CCN)CCS(=O)(=O)CCC(F)(F)F.
What is the InChIKey of 3-methyl-5-(3,3,3-trifluoropropylsulfonyl)pentan-1-amine?
The InChIKey is UHOBSFTWQXDEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3NO2S/c1-8(2-5-13)3-6-16(14,15)7-4-9(10,11)12/h8H,2-7,13H2,1H3.
What are the key properties of 3-methyl-5-(3,3,3-trifluoropropylsulfonyl)pentan-1-amine?
3-methyl-5-(3,3,3-trifluoropropylsulfonyl)pentan-1-amine has a molecular weight of 261.31 g/mol, XLogP of 1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(3,3,3-trifluoropropylsulfonyl)pentan-1-amine is sourced from PubChem (CID 142791534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).