2-butylsulfonyl-N-(thiophen-2-ylmethyl)ethanamine

C11H19NO2S2 — CID 106512489

IUPAC2-butylsulfonyl-N-(thiophen-2-ylmethyl)ethanamine
SMILESCCCCS(=O)(=O)CCNCc1cccs1
InChIInChI=1S/C11H19NO2S2/c1-2-3-8-16(13,14)9-6-12-10-11-5-4-7-15-11/h4-5,7,12H,2-3,6,8-10H2,1H3
InChIKeyYXLLJJCANRWLAE-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.05
Rot. Bonds8

About 2-butylsulfonyl-N-(thiophen-2-ylmethyl)ethanamine

2-butylsulfonyl-N-(thiophen-2-ylmethyl)ethanamine (PubChem CID 106512489) has the molecular formula C11H19NO2S2 and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-butylsulfonyl-N-(thiophen-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-butylsulfonyl-N-(thiophen-2-ylmethyl)ethanamine
PubChem CID106512489
Molecular FormulaC11H19NO2S2
Molecular Weight261.41 g/mol
Exact Mass261.09
IUPAC Name2-butylsulfonyl-N-(thiophen-2-ylmethyl)ethanamine
SMILESCCCCS(=O)(=O)CCNCc1cccs1
InChIInChI=1S/C11H19NO2S2/c1-2-3-8-16(13,14)9-6-12-10-11-5-4-7-15-11/h4-5,7,12H,2-3,6,8-10H2,1H3
InChIKeyYXLLJJCANRWLAE-UHFFFAOYSA-N
XLogP2.05
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-butylsulfonyl-N-(thiophen-2-ylmethyl)ethanamine 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-ethylsulfonyl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 65092881
2-(3-methylbutylsulfonyl)-N-(thiophen-2-ylmethyl)ethanamine
CID 107757782
2-tert-butylsulfonyl-N-(thiophen-2-ylmethyl)ethanamine
CID 115625748
3-propoxy-N-(thiophen-2-ylmethyl)propan-1-amine
CID 62715454
N-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 4719998
2-[(R)-methylsulfinyl]-N-(thiophen-2-ylmethyl)ethanamine
CID 97064689
2-propan-2-ylsulfanyl-N-(thiophen-2-ylmethyl)ethanamine
CID 62579080
N'-propan-2-yl-N-(thiophen-2-ylmethyl)butane-1,4-diamine
CID 61151397
N-[(3-methylthiophen-2-yl)methyl]-2-propylsulfonylethanamine
CID 106513305
N-[(5-bromothiophen-2-yl)methyl]-2-propylsulfonylethanamine
CID 106723329
N-butyl-4-thiophen-2-ylbutan-1-amine
CID 60984563
3-methoxy-3-methyl-N-(thiophen-2-ylmethyl)butan-1-amine
CID 103019853

Frequently Asked Questions

What is the IUPAC name of 2-butylsulfonyl-N-(thiophen-2-ylmethyl)ethanamine?
The IUPAC name of 2-butylsulfonyl-N-(thiophen-2-ylmethyl)ethanamine (CID 106512489) is 2-butylsulfonyl-N-(thiophen-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-butylsulfonyl-N-(thiophen-2-ylmethyl)ethanamine?
The canonical SMILES for 2-butylsulfonyl-N-(thiophen-2-ylmethyl)ethanamine is CCCCS(=O)(=O)CCNCc1cccs1.
What is the InChIKey of 2-butylsulfonyl-N-(thiophen-2-ylmethyl)ethanamine?
The InChIKey is YXLLJJCANRWLAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2S2/c1-2-3-8-16(13,14)9-6-12-10-11-5-4-7-15-11/h4-5,7,12H,2-3,6,8-10H2,1H3.
What are the key properties of 2-butylsulfonyl-N-(thiophen-2-ylmethyl)ethanamine?
2-butylsulfonyl-N-(thiophen-2-ylmethyl)ethanamine has a molecular weight of 261.41 g/mol, XLogP of 2.05, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylsulfonyl-N-(thiophen-2-ylmethyl)ethanamine is sourced from PubChem (CID 106512489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).