(2R)-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]butan-1-ol

C12H21NOS — CID 103922693

IUPAC(2R)-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]butan-1-ol
SMILESCC[C@H](CO)NC(c1cccs1)C(C)C
InChIInChI=1S/C12H21NOS/c1-4-10(8-14)13-12(9(2)3)11-6-5-7-15-11/h5-7,9-10,12-14H,4,8H2,1-3H3/t10-,12?/m1/s1
InChIKeyJHXGJBPHVAEZSW-RWANSRKNSA-N
MW227.37 g/mol
LogP2.81
Rot. Bonds6

About (2R)-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]butan-1-ol

(2R)-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]butan-1-ol (PubChem CID 103922693) has the molecular formula C12H21NOS and a molecular weight of 227.37 g/mol. Its IUPAC name is (2R)-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]butan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]butan-1-ol
PubChem CID103922693
Molecular FormulaC12H21NOS
Molecular Weight227.37 g/mol
Exact Mass227.13
IUPAC Name(2R)-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]butan-1-ol
SMILESCC[C@H](CO)NC(c1cccs1)C(C)C
InChIInChI=1S/C12H21NOS/c1-4-10(8-14)13-12(9(2)3)11-6-5-7-15-11/h5-7,9-10,12-14H,4,8H2,1-3H3/t10-,12?/m1/s1
InChIKeyJHXGJBPHVAEZSW-RWANSRKNSA-N
XLogP2.81
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.37
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]butan-1-ol 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-[(2-methyl-1-thiophen-2-ylpropyl)amino]pentan-1-ol
CID 115888558
2-(1-thiophen-2-ylethylamino)butan-1-ol
CID 43207104
5-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)heptan-3-amine
CID 43722998
(2R)-2-[(2-methyl-1-phenylpropyl)amino]butan-1-ol
CID 103922515
N-(2-methyl-1-thiophen-2-ylpropyl)undecan-6-amine
CID 63448004
2-[(2-methyl-1-thiophen-2-ylpropyl)amino]butanamide
CID 62900414
N-(2-methyl-1-thiophen-2-ylpropyl)hydroxylamine
CID 82685515
N-ethyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]propanamide
CID 43226431
N-[1-(4-fluorophenyl)propyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 43723054
2-(aminomethyl)-N-(2-methyl-1-thiophen-2-ylpropyl)butanamide
CID 65225067
N-[1-(2-methoxyphenyl)propyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 43783277
2-amino-N-(2-methyl-1-thiophen-2-ylpropyl)butanamide
CID 43709179

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]butan-1-ol?
The IUPAC name of (2R)-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]butan-1-ol (CID 103922693) is (2R)-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]butan-1-ol.
What is the SMILES notation for (2R)-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]butan-1-ol?
The canonical SMILES for (2R)-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]butan-1-ol is CC[C@H](CO)NC(c1cccs1)C(C)C.
What is the InChIKey of (2R)-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]butan-1-ol?
The InChIKey is JHXGJBPHVAEZSW-RWANSRKNSA-N. The full InChI is InChI=1S/C12H21NOS/c1-4-10(8-14)13-12(9(2)3)11-6-5-7-15-11/h5-7,9-10,12-14H,4,8H2,1-3H3/t10-,12?/m1/s1.
What are the key properties of (2R)-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]butan-1-ol?
(2R)-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]butan-1-ol has a molecular weight of 227.37 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]butan-1-ol is sourced from PubChem (CID 103922693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).