(2R)-2-(1,2-dithiophen-2-ylethylamino)propan-1-ol

C13H17NOS2 — CID 114986973

IUPAC(2R)-2-(1,2-dithiophen-2-ylethylamino)propan-1-ol
SMILESC[C@H](CO)NC(Cc1cccs1)c1cccs1
InChIInChI=1S/C13H17NOS2/c1-10(9-15)14-12(13-5-3-7-17-13)8-11-4-2-6-16-11/h2-7,10,12,14-15H,8-9H2,1H3/t10-,12?/m1/s1
InChIKeyQIYRODWMZSSBDQ-RWANSRKNSA-N
MW267.42 g/mol
LogP3.06
Rot. Bonds6

About (2R)-2-(1,2-dithiophen-2-ylethylamino)propan-1-ol

(2R)-2-(1,2-dithiophen-2-ylethylamino)propan-1-ol (PubChem CID 114986973) has the molecular formula C13H17NOS2 and a molecular weight of 267.42 g/mol. Its IUPAC name is (2R)-2-(1,2-dithiophen-2-ylethylamino)propan-1-ol.

Molecular Properties

Compound Name(2R)-2-(1,2-dithiophen-2-ylethylamino)propan-1-ol
PubChem CID114986973
Molecular FormulaC13H17NOS2
Molecular Weight267.42 g/mol
Exact Mass267.08
IUPAC Name(2R)-2-(1,2-dithiophen-2-ylethylamino)propan-1-ol
SMILESC[C@H](CO)NC(Cc1cccs1)c1cccs1
InChIInChI=1S/C13H17NOS2/c1-10(9-15)14-12(13-5-3-7-17-13)8-11-4-2-6-16-11/h2-7,10,12,14-15H,8-9H2,1H3/t10-,12?/m1/s1
InChIKeyQIYRODWMZSSBDQ-RWANSRKNSA-N
XLogP3.06
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,2-dithiophen-2-ylethyl)-1-thiophen-2-ylpropan-2-amine
CID 43783115
(2S)-2-(1,2-dithiophen-2-ylethylamino)-3-methylbutan-1-ol
CID 79254175
1-cyclopropyl-N-(1,2-dithiophen-2-ylethyl)propan-2-amine
CID 63989311
N-(1,2-dithiophen-2-ylethyl)-1-methylsulfonylpropan-2-amine
CID 64629979
3-(1,2-dithiophen-2-ylethylamino)-4-methylpentan-1-ol
CID 103786463
2-(1,2-dithiophen-2-ylethylamino)propanamide
CID 43777142
N-ethyl-1,2-dithiophen-2-ylethanamine
CID 43755169
N-[(1R)-1-cyclohexylethyl]-1,2-dithiophen-2-ylethanamine
CID 81391508
N-(1-cyclohexylethyl)-1,2-dithiophen-2-ylethanamine
CID 63478173
2-[2-(1,2-dithiophen-2-ylethylamino)ethoxy]ethanol
CID 43771514
N-propan-2-yl-1-thiophen-2-ylpropan-2-amine
CID 15162973
N-(1,2-dithiophen-2-ylethyl)-4-methylaniline
CID 43765840

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1,2-dithiophen-2-ylethylamino)propan-1-ol?
The IUPAC name of (2R)-2-(1,2-dithiophen-2-ylethylamino)propan-1-ol (CID 114986973) is (2R)-2-(1,2-dithiophen-2-ylethylamino)propan-1-ol.
What is the SMILES notation for (2R)-2-(1,2-dithiophen-2-ylethylamino)propan-1-ol?
The canonical SMILES for (2R)-2-(1,2-dithiophen-2-ylethylamino)propan-1-ol is C[C@H](CO)NC(Cc1cccs1)c1cccs1.
What is the InChIKey of (2R)-2-(1,2-dithiophen-2-ylethylamino)propan-1-ol?
The InChIKey is QIYRODWMZSSBDQ-RWANSRKNSA-N. The full InChI is InChI=1S/C13H17NOS2/c1-10(9-15)14-12(13-5-3-7-17-13)8-11-4-2-6-16-11/h2-7,10,12,14-15H,8-9H2,1H3/t10-,12?/m1/s1.
What are the key properties of (2R)-2-(1,2-dithiophen-2-ylethylamino)propan-1-ol?
(2R)-2-(1,2-dithiophen-2-ylethylamino)propan-1-ol has a molecular weight of 267.42 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1,2-dithiophen-2-ylethylamino)propan-1-ol is sourced from PubChem (CID 114986973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).