1-cyclopropyl-2-(1,2-dithiophen-2-ylethylamino)ethanol

C15H19NOS2 — CID 63294884

IUPAC1-cyclopropyl-2-(1,2-dithiophen-2-ylethylamino)ethanol
SMILESOC(CNC(Cc1cccs1)c1cccs1)C1CC1
InChIInChI=1S/C15H19NOS2/c17-14(11-5-6-11)10-16-13(15-4-2-8-19-15)9-12-3-1-7-18-12/h1-4,7-8,11,13-14,16-17H,5-6,9-10H2
InChIKeyKLJVISXYNBPQOC-UHFFFAOYSA-N
MW293.46 g/mol
LogP3.45
Rot. Bonds7

About 1-cyclopropyl-2-(1,2-dithiophen-2-ylethylamino)ethanol

1-cyclopropyl-2-(1,2-dithiophen-2-ylethylamino)ethanol (PubChem CID 63294884) has the molecular formula C15H19NOS2 and a molecular weight of 293.46 g/mol. Its IUPAC name is 1-cyclopropyl-2-(1,2-dithiophen-2-ylethylamino)ethanol.

Molecular Properties

Compound Name1-cyclopropyl-2-(1,2-dithiophen-2-ylethylamino)ethanol
PubChem CID63294884
Molecular FormulaC15H19NOS2
Molecular Weight293.46 g/mol
Exact Mass293.09
IUPAC Name1-cyclopropyl-2-(1,2-dithiophen-2-ylethylamino)ethanol
SMILESOC(CNC(Cc1cccs1)c1cccs1)C1CC1
InChIInChI=1S/C15H19NOS2/c17-14(11-5-6-11)10-16-13(15-4-2-8-19-15)9-12-3-1-7-18-12/h1-4,7-8,11,13-14,16-17H,5-6,9-10H2
InChIKeyKLJVISXYNBPQOC-UHFFFAOYSA-N
XLogP3.45
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,2-dithiophen-2-ylethylamino)pentan-2-ol
CID 115719311
N-(thiolan-3-ylmethyl)-1,2-dithiophen-2-ylethanamine
CID 107295205
N-ethyl-1,2-dithiophen-2-ylethanamine
CID 43755169
1-cyclopropyl-N-(1,2-dithiophen-2-ylethyl)propan-2-amine
CID 63989311
1-cyclopropyl-2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]ethanol
CID 63296586
N-cyclopropyl-3-(1,2-dithiophen-2-ylethylamino)propanamide
CID 79378036
N-(1,2-dithiophen-2-ylethyl)cyclohexanamine
CID 43756050
1-[(1,2-dithiophen-2-ylethylamino)methyl]cyclopentan-1-ol
CID 65105159
N-(1,2-dithiophen-2-ylethyl)-2-ethoxypropan-1-amine
CID 115724259
N-(1,2-dithiophen-2-ylethyl)thiolan-3-amine
CID 103930732
N-[(1R)-1-cyclohexylethyl]-1,2-dithiophen-2-ylethanamine
CID 81391508
N-(1-cyclohexylethyl)-1,2-dithiophen-2-ylethanamine
CID 63478173

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(1,2-dithiophen-2-ylethylamino)ethanol?
The IUPAC name of 1-cyclopropyl-2-(1,2-dithiophen-2-ylethylamino)ethanol (CID 63294884) is 1-cyclopropyl-2-(1,2-dithiophen-2-ylethylamino)ethanol.
What is the SMILES notation for 1-cyclopropyl-2-(1,2-dithiophen-2-ylethylamino)ethanol?
The canonical SMILES for 1-cyclopropyl-2-(1,2-dithiophen-2-ylethylamino)ethanol is OC(CNC(Cc1cccs1)c1cccs1)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-(1,2-dithiophen-2-ylethylamino)ethanol?
The InChIKey is KLJVISXYNBPQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS2/c17-14(11-5-6-11)10-16-13(15-4-2-8-19-15)9-12-3-1-7-18-12/h1-4,7-8,11,13-14,16-17H,5-6,9-10H2.
What are the key properties of 1-cyclopropyl-2-(1,2-dithiophen-2-ylethylamino)ethanol?
1-cyclopropyl-2-(1,2-dithiophen-2-ylethylamino)ethanol has a molecular weight of 293.46 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(1,2-dithiophen-2-ylethylamino)ethanol is sourced from PubChem (CID 63294884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).