1-(1,2-dithiophen-2-ylethylamino)pentan-2-ol

C15H21NOS2 — CID 115719311

IUPAC1-(1,2-dithiophen-2-ylethylamino)pentan-2-ol
SMILESCCCC(O)CNC(Cc1cccs1)c1cccs1
InChIInChI=1S/C15H21NOS2/c1-2-5-12(17)11-16-14(15-7-4-9-19-15)10-13-6-3-8-18-13/h3-4,6-9,12,14,16-17H,2,5,10-11H2,1H3
InChIKeyCCKFKTQDYGSVBV-UHFFFAOYSA-N
MW295.47 g/mol
LogP3.84
Rot. Bonds8

About 1-(1,2-dithiophen-2-ylethylamino)pentan-2-ol

1-(1,2-dithiophen-2-ylethylamino)pentan-2-ol (PubChem CID 115719311) has the molecular formula C15H21NOS2 and a molecular weight of 295.47 g/mol. Its IUPAC name is 1-(1,2-dithiophen-2-ylethylamino)pentan-2-ol.

Molecular Properties

Compound Name1-(1,2-dithiophen-2-ylethylamino)pentan-2-ol
PubChem CID115719311
Molecular FormulaC15H21NOS2
Molecular Weight295.47 g/mol
Exact Mass295.11
IUPAC Name1-(1,2-dithiophen-2-ylethylamino)pentan-2-ol
SMILESCCCC(O)CNC(Cc1cccs1)c1cccs1
InChIInChI=1S/C15H21NOS2/c1-2-5-12(17)11-16-14(15-7-4-9-19-15)10-13-6-3-8-18-13/h3-4,6-9,12,14,16-17H,2,5,10-11H2,1H3
InChIKeyCCKFKTQDYGSVBV-UHFFFAOYSA-N
XLogP3.84
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(1,2-dithiophen-2-ylethylamino)pentan-2-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

N-ethyl-1,2-dithiophen-2-ylethanamine
CID 43755169
1-cyclopropyl-2-(1,2-dithiophen-2-ylethylamino)ethanol
CID 63294884
N-(1,2-dithiophen-2-ylethyl)-2-ethoxypropan-1-amine
CID 115724259
N-[(1S)-1-thiophen-2-ylbutyl]hydroxylamine
CID 131230047
N-(1,2-dithiophen-2-ylethyl)-1-thiophen-2-ylpropan-2-amine
CID 43783115
8-thiophen-2-yloctan-4-ol
CID 64516293
(2R)-2-(1,2-dithiophen-2-ylethylamino)propan-1-ol
CID 114986973
2-[2-(1,2-dithiophen-2-ylethylamino)ethoxy]ethanol
CID 43771514
1-(2-hydroxypentyl)-3-(2-thiophen-2-ylethyl)urea
CID 111120759
1-(pentan-2-ylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 60634664
3-(1,2-dithiophen-2-ylethylamino)-4-methylpentan-1-ol
CID 103786463
1-[(1,2-dithiophen-2-ylethylamino)methyl]cyclopentan-1-ol
CID 65105159

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dithiophen-2-ylethylamino)pentan-2-ol?
The IUPAC name of 1-(1,2-dithiophen-2-ylethylamino)pentan-2-ol (CID 115719311) is 1-(1,2-dithiophen-2-ylethylamino)pentan-2-ol.
What is the SMILES notation for 1-(1,2-dithiophen-2-ylethylamino)pentan-2-ol?
The canonical SMILES for 1-(1,2-dithiophen-2-ylethylamino)pentan-2-ol is CCCC(O)CNC(Cc1cccs1)c1cccs1.
What is the InChIKey of 1-(1,2-dithiophen-2-ylethylamino)pentan-2-ol?
The InChIKey is CCKFKTQDYGSVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NOS2/c1-2-5-12(17)11-16-14(15-7-4-9-19-15)10-13-6-3-8-18-13/h3-4,6-9,12,14,16-17H,2,5,10-11H2,1H3.
What are the key properties of 1-(1,2-dithiophen-2-ylethylamino)pentan-2-ol?
1-(1,2-dithiophen-2-ylethylamino)pentan-2-ol has a molecular weight of 295.47 g/mol, XLogP of 3.84, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dithiophen-2-ylethylamino)pentan-2-ol is sourced from PubChem (CID 115719311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).