3-(thiophen-2-ylmethylsulfinyl)butan-1-amine

C9H15NOS2 — CID 81195723

IUPAC3-(thiophen-2-ylmethylsulfinyl)butan-1-amine
SMILESCC(CCN)S(=O)Cc1cccs1
InChIInChI=1S/C9H15NOS2/c1-8(4-5-10)13(11)7-9-3-2-6-12-9/h2-3,6,8H,4-5,7,10H2,1H3
InChIKeyLUDYDZKAWRBIML-UHFFFAOYSA-N
MW217.36 g/mol
LogP1.73
Rot. Bonds5

About 3-(thiophen-2-ylmethylsulfinyl)butan-1-amine

3-(thiophen-2-ylmethylsulfinyl)butan-1-amine (PubChem CID 81195723) has the molecular formula C9H15NOS2 and a molecular weight of 217.36 g/mol. Its IUPAC name is 3-(thiophen-2-ylmethylsulfinyl)butan-1-amine.

Molecular Properties

Compound Name3-(thiophen-2-ylmethylsulfinyl)butan-1-amine
PubChem CID81195723
Molecular FormulaC9H15NOS2
Molecular Weight217.36 g/mol
Exact Mass217.06
IUPAC Name3-(thiophen-2-ylmethylsulfinyl)butan-1-amine
SMILESCC(CCN)S(=O)Cc1cccs1
InChIInChI=1S/C9H15NOS2/c1-8(4-5-10)13(11)7-9-3-2-6-12-9/h2-3,6,8H,4-5,7,10H2,1H3
InChIKeyLUDYDZKAWRBIML-UHFFFAOYSA-N
XLogP1.73
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(thiophen-2-ylmethylsulfinyl)butan-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-(thiophen-2-ylmethylsulfinyl)butanoic acid
CID 66113265
3-methyl-5-thiophen-2-ylpentan-1-amine
CID 65300701
3-(thiophen-2-ylmethoxy)butan-1-amine
CID 114995869
3-[(4-ethylphenyl)methylsulfinyl]butan-1-amine
CID 81194675
4-amino-1-thiophen-2-ylbutan-2-ol
CID 71778098
3-[(4-bromophenyl)methylsulfinyl]butan-1-amine
CID 81193519
2-(thiophen-2-ylmethylsulfinyl)butanoic acid
CID 105355661
3-[(3-bromophenyl)methylsulfinyl]butan-1-amine
CID 81195882
(1S)-1-thiophen-2-ylpropane-1,3-diamine
CID 130817446
N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79470909
2-methyl-3-(thiophen-2-ylmethylsulfinyl)propanoic acid
CID 64915553
3-(benzenesulfinyl)butan-1-amine
CID 81328702

Frequently Asked Questions

What is the IUPAC name of 3-(thiophen-2-ylmethylsulfinyl)butan-1-amine?
The IUPAC name of 3-(thiophen-2-ylmethylsulfinyl)butan-1-amine (CID 81195723) is 3-(thiophen-2-ylmethylsulfinyl)butan-1-amine.
What is the SMILES notation for 3-(thiophen-2-ylmethylsulfinyl)butan-1-amine?
The canonical SMILES for 3-(thiophen-2-ylmethylsulfinyl)butan-1-amine is CC(CCN)S(=O)Cc1cccs1.
What is the InChIKey of 3-(thiophen-2-ylmethylsulfinyl)butan-1-amine?
The InChIKey is LUDYDZKAWRBIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NOS2/c1-8(4-5-10)13(11)7-9-3-2-6-12-9/h2-3,6,8H,4-5,7,10H2,1H3.
What are the key properties of 3-(thiophen-2-ylmethylsulfinyl)butan-1-amine?
3-(thiophen-2-ylmethylsulfinyl)butan-1-amine has a molecular weight of 217.36 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(thiophen-2-ylmethylsulfinyl)butan-1-amine is sourced from PubChem (CID 81195723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).