2-fluoro-2-methyl-4-propylsulfonylbutan-1-amine

C8H18FNO2S — CID 106735925

IUPAC2-fluoro-2-methyl-4-propylsulfonylbutan-1-amine
SMILESCCCS(=O)(=O)CCC(C)(F)CN
InChIInChI=1S/C8H18FNO2S/c1-3-5-13(11,12)6-4-8(2,9)7-10/h3-7,10H2,1-2H3
InChIKeyABODUKCJIAQMQQ-UHFFFAOYSA-N
MW211.30 g/mol
LogP0.89
Rot. Bonds6

About 2-fluoro-2-methyl-4-propylsulfonylbutan-1-amine

2-fluoro-2-methyl-4-propylsulfonylbutan-1-amine (PubChem CID 106735925) has the molecular formula C8H18FNO2S and a molecular weight of 211.30 g/mol. Its IUPAC name is 2-fluoro-2-methyl-4-propylsulfonylbutan-1-amine.

Molecular Properties

Compound Name2-fluoro-2-methyl-4-propylsulfonylbutan-1-amine
PubChem CID106735925
Molecular FormulaC8H18FNO2S
Molecular Weight211.30 g/mol
Exact Mass211.10
IUPAC Name2-fluoro-2-methyl-4-propylsulfonylbutan-1-amine
SMILESCCCS(=O)(=O)CCC(C)(F)CN
InChIInChI=1S/C8H18FNO2S/c1-3-5-13(11,12)6-4-8(2,9)7-10/h3-7,10H2,1-2H3
InChIKeyABODUKCJIAQMQQ-UHFFFAOYSA-N
XLogP0.89
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-fluoro-2-methyl-4-propylsulfonylbutan-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

3-(4-Fluorobutylsulfonyl)propan-1-amine
CID 58684230
4-(4,4,4-Trifluorobutylsulfonyl)butan-1-amine
CID 86696846
2-Methyl-2-(4,4,4-trifluorobutylsulfonyl)propan-1-amine
CID 87112802
3-(4,4,4-Trifluorobutylsulfonyl)butan-1-amine
CID 115519838
3-Methyl-4-(3,3,4,4,4-pentafluorobutylsulfonyl)butan-1-amine
CID 142791533
3-Methyl-5-(3,3,3-trifluoropropylsulfonyl)pentan-1-amine
CID 142791534
3-Methyl-4-(3,3,3-trifluoropropylsulfonyl)butan-1-amine
CID 142791535
3-Methyl-4-(4,4,5,5,5-pentafluoropentylsulfonyl)butan-1-amine
CID 142791541
3-Methyl-4-(4,4,4-trifluorobutylsulfonyl)butan-1-amine
CID 142791542
3-Butylsulfonyl-4,4,4-trifluorobutan-1-amine
CID 64698035
3-Butan-2-ylsulfonyl-4,4,4-trifluorobutan-1-amine
CID 64699233
4,4,4-Trifluoro-3-(2-methylpropylsulfonyl)butan-1-amine
CID 64699419

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-methyl-4-propylsulfonylbutan-1-amine?
The IUPAC name of 2-fluoro-2-methyl-4-propylsulfonylbutan-1-amine (CID 106735925) is 2-fluoro-2-methyl-4-propylsulfonylbutan-1-amine.
What is the SMILES notation for 2-fluoro-2-methyl-4-propylsulfonylbutan-1-amine?
The canonical SMILES for 2-fluoro-2-methyl-4-propylsulfonylbutan-1-amine is CCCS(=O)(=O)CCC(C)(F)CN.
What is the InChIKey of 2-fluoro-2-methyl-4-propylsulfonylbutan-1-amine?
The InChIKey is ABODUKCJIAQMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18FNO2S/c1-3-5-13(11,12)6-4-8(2,9)7-10/h3-7,10H2,1-2H3.
What are the key properties of 2-fluoro-2-methyl-4-propylsulfonylbutan-1-amine?
2-fluoro-2-methyl-4-propylsulfonylbutan-1-amine has a molecular weight of 211.30 g/mol, XLogP of 0.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-methyl-4-propylsulfonylbutan-1-amine is sourced from PubChem (CID 106735925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).