(2S)-N-methyl-4-thiophen-2-ylbutan-2-amine

C9H15NS — CID 42077642

IUPAC(2S)-N-methyl-4-thiophen-2-ylbutan-2-amine
SMILESCN[C@@H](C)CCc1cccs1
InChIInChI=1S/C9H15NS/c1-8(10-2)5-6-9-4-3-7-11-9/h3-4,7-8,10H,5-6H2,1-2H3/t8-/m0/s1
InChIKeyAYTMHPNETXRMKE-QMMMGPOBSA-N
MW169.29 g/mol
LogP2.29
Rot. Bonds4

About (2S)-N-methyl-4-thiophen-2-ylbutan-2-amine

(2S)-N-methyl-4-thiophen-2-ylbutan-2-amine (PubChem CID 42077642) has the molecular formula C9H15NS and a molecular weight of 169.29 g/mol. Its IUPAC name is (2S)-N-methyl-4-thiophen-2-ylbutan-2-amine.

Molecular Properties

Compound Name(2S)-N-methyl-4-thiophen-2-ylbutan-2-amine
PubChem CID42077642
Molecular FormulaC9H15NS
Molecular Weight169.29 g/mol
Exact Mass169.09
IUPAC Name(2S)-N-methyl-4-thiophen-2-ylbutan-2-amine
SMILESCN[C@@H](C)CCc1cccs1
InChIInChI=1S/C9H15NS/c1-8(10-2)5-6-9-4-3-7-11-9/h3-4,7-8,10H,5-6H2,1-2H3/t8-/m0/s1
InChIKeyAYTMHPNETXRMKE-QMMMGPOBSA-N
XLogP2.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.29
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-N-methyl-4-thiophen-2-ylbutan-2-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

N,4-dimethyl-6-thiophen-2-ylhexan-2-amine
CID 64720964
N-methyl-1-propan-2-ylsulfanyl-4-thiophen-2-ylbutan-2-amine
CID 65131658
2-chloro-N-(2-thiophen-2-ylethyl)propan-1-amine
CID 65024360
3-methyl-5-thiophen-2-ylpentan-1-amine
CID 65300701
N-methyl-1-thiophen-2-yldodecan-3-amine
CID 115860959
N,4,4-trimethyl-5-thiophen-2-ylpentan-2-amine
CID 64718072
N-methyl-4-thiophen-2-ylsulfinylbutan-2-amine
CID 64653423
N-methyl-N'-(2-thiophen-2-ylethyl)methanediamine
CID 115227113
1-(3-bicyclo[3.1.0]hexanyl)-N-methyl-3-thiophen-2-ylpropan-1-amine
CID 115860737
N-methyl-6-phenyl-1-thiophen-2-ylhexan-3-amine
CID 105150151
1-chloro-N-(2-thiophen-2-ylethyl)propan-2-amine
CID 65025687
1-cyclobutyl-N-methyl-4-thiophen-2-ylbutan-2-amine
CID 103168696

Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-4-thiophen-2-ylbutan-2-amine?
The IUPAC name of (2S)-N-methyl-4-thiophen-2-ylbutan-2-amine (CID 42077642) is (2S)-N-methyl-4-thiophen-2-ylbutan-2-amine.
What is the SMILES notation for (2S)-N-methyl-4-thiophen-2-ylbutan-2-amine?
The canonical SMILES for (2S)-N-methyl-4-thiophen-2-ylbutan-2-amine is CN[C@@H](C)CCc1cccs1.
What is the InChIKey of (2S)-N-methyl-4-thiophen-2-ylbutan-2-amine?
The InChIKey is AYTMHPNETXRMKE-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H15NS/c1-8(10-2)5-6-9-4-3-7-11-9/h3-4,7-8,10H,5-6H2,1-2H3/t8-/m0/s1.
What are the key properties of (2S)-N-methyl-4-thiophen-2-ylbutan-2-amine?
(2S)-N-methyl-4-thiophen-2-ylbutan-2-amine has a molecular weight of 169.29 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-4-thiophen-2-ylbutan-2-amine is sourced from PubChem (CID 42077642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).