(2S)-2-[(3-chlorothiophen-2-yl)methylamino]-2-thiophen-3-ylethanol

C11H12ClNOS2 — CID 100697818

IUPAC(2S)-2-[(3-chlorothiophen-2-yl)methylamino]-2-thiophen-3-ylethanol
SMILESOC[C@@H](NCc1sccc1Cl)c1ccsc1
InChIInChI=1S/C11H12ClNOS2/c12-9-2-4-16-11(9)5-13-10(6-14)8-1-3-15-7-8/h1-4,7,10,13-14H,5-6H2/t10-/m1/s1
InChIKeyRWIAFZBXDWBWRC-SNVBAGLBSA-N
MW273.81 g/mol
LogP3.29
Rot. Bonds5

About (2S)-2-[(3-chlorothiophen-2-yl)methylamino]-2-thiophen-3-ylethanol

(2S)-2-[(3-chlorothiophen-2-yl)methylamino]-2-thiophen-3-ylethanol (PubChem CID 100697818) has the molecular formula C11H12ClNOS2 and a molecular weight of 273.81 g/mol. Its IUPAC name is (2S)-2-[(3-chlorothiophen-2-yl)methylamino]-2-thiophen-3-ylethanol.

Molecular Properties

Compound Name(2S)-2-[(3-chlorothiophen-2-yl)methylamino]-2-thiophen-3-ylethanol
PubChem CID100697818
Molecular FormulaC11H12ClNOS2
Molecular Weight273.81 g/mol
Exact Mass273.00
IUPAC Name(2S)-2-[(3-chlorothiophen-2-yl)methylamino]-2-thiophen-3-ylethanol
SMILESOC[C@@H](NCc1sccc1Cl)c1ccsc1
InChIInChI=1S/C11H12ClNOS2/c12-9-2-4-16-11(9)5-13-10(6-14)8-1-3-15-7-8/h1-4,7,10,13-14H,5-6H2/t10-/m1/s1
InChIKeyRWIAFZBXDWBWRC-SNVBAGLBSA-N
XLogP3.29
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.81
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[(3-chlorothiophen-2-yl)methylamino]-2-thiophen-3-ylethanol 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

(3R)-3-[(3-chlorothiophen-2-yl)methylamino]-3-phenylpropan-1-ol
CID 100697175
2-(cyclopropylmethylamino)-2-thiophen-3-ylethanol
CID 61054631
2-anilino-2-thiophen-3-ylethanol
CID 61046971
(2R)-2-[(3-bromothiophen-2-yl)methylamino]-2-phenylethanol
CID 95027212
(2R)-2-phenyl-2-(thiophen-3-ylmethylamino)ethanol
CID 103766360
2-[(2-methylquinolin-6-yl)methylamino]-2-thiophen-3-ylethanol
CID 119039458
2-(4-fluoroanilino)-2-thiophen-3-ylethanol
CID 61050355
3-chloro-N-[(1R)-2-hydroxy-1-thiophen-3-ylethyl]-2-methylbenzamide
CID 124854885
3-(3-chlorothiophen-2-yl)propan-1-ol
CID 55266094
(3-chlorothiophen-2-yl)methylcarbamic acid
CID 130345010
4-[2-hydroxy-1-(thiophen-2-ylmethylamino)ethyl]phenol
CID 61054801
N-[2-(3-bromothiophen-2-yl)-1-thiophen-3-ylethyl]propan-1-amine
CID 62602066

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3-chlorothiophen-2-yl)methylamino]-2-thiophen-3-ylethanol?
The IUPAC name of (2S)-2-[(3-chlorothiophen-2-yl)methylamino]-2-thiophen-3-ylethanol (CID 100697818) is (2S)-2-[(3-chlorothiophen-2-yl)methylamino]-2-thiophen-3-ylethanol.
What is the SMILES notation for (2S)-2-[(3-chlorothiophen-2-yl)methylamino]-2-thiophen-3-ylethanol?
The canonical SMILES for (2S)-2-[(3-chlorothiophen-2-yl)methylamino]-2-thiophen-3-ylethanol is OC[C@@H](NCc1sccc1Cl)c1ccsc1.
What is the InChIKey of (2S)-2-[(3-chlorothiophen-2-yl)methylamino]-2-thiophen-3-ylethanol?
The InChIKey is RWIAFZBXDWBWRC-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H12ClNOS2/c12-9-2-4-16-11(9)5-13-10(6-14)8-1-3-15-7-8/h1-4,7,10,13-14H,5-6H2/t10-/m1/s1.
What are the key properties of (2S)-2-[(3-chlorothiophen-2-yl)methylamino]-2-thiophen-3-ylethanol?
(2S)-2-[(3-chlorothiophen-2-yl)methylamino]-2-thiophen-3-ylethanol has a molecular weight of 273.81 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3-chlorothiophen-2-yl)methylamino]-2-thiophen-3-ylethanol is sourced from PubChem (CID 100697818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).