2-(dimethylamino)-1,1-dithiophen-2-ylpropan-1-ol;hydrochloride

C13H18ClNOS2 — CID 24843505

IUPAC2-(dimethylamino)-1,1-dithiophen-2-ylpropan-1-ol;hydrochloride
SMILESCC(N(C)C)C(O)(c1cccs1)c1cccs1.Cl
InChIInChI=1S/C13H17NOS2.ClH/c1-10(14(2)3)13(15,11-6-4-8-16-11)12-7-5-9-17-12;/h4-10,15H,1-3H3;1H
InChIKeyRJWNKTGVXLPBFE-UHFFFAOYSA-N
MW303.88 g/mol
LogP3.42
Rot. Bonds4

About 2-(dimethylamino)-1,1-dithiophen-2-ylpropan-1-ol;hydrochloride

2-(dimethylamino)-1,1-dithiophen-2-ylpropan-1-ol;hydrochloride (PubChem CID 24843505) has the molecular formula C13H18ClNOS2 and a molecular weight of 303.88 g/mol. Its IUPAC name is 2-(dimethylamino)-1,1-dithiophen-2-ylpropan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-(dimethylamino)-1,1-dithiophen-2-ylpropan-1-ol;hydrochloride
PubChem CID24843505
Molecular FormulaC13H18ClNOS2
Molecular Weight303.88 g/mol
Exact Mass303.05
IUPAC Name2-(dimethylamino)-1,1-dithiophen-2-ylpropan-1-ol;hydrochloride
SMILESCC(N(C)C)C(O)(c1cccs1)c1cccs1.Cl
InChIInChI=1S/C13H17NOS2.ClH/c1-10(14(2)3)13(15,11-6-4-8-16-11)12-7-5-9-17-12;/h4-10,15H,1-3H3;1H
InChIKeyRJWNKTGVXLPBFE-UHFFFAOYSA-N
XLogP3.42
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.88
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-amino-2-methyl-1-thiophen-2-ylpropan-1-ol
CID 66989083
3-methyl-2-thiophen-2-ylbut-3-en-2-ol
CID 79189785
1-(dimethylamino)-2-methyl-1-thiophen-2-ylpropan-2-ol
CID 116911292
2-(dimethylamino)-N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-methylbutanamide
CID 111442311
1-hydroxy-1,1-dithiophen-2-ylpropan-2-one
CID 23553455
2-(2,3,3,4-tetramethylpentan-2-yl)thiophene
CID 126728897
N-propan-2-yl-2-thiophen-2-ylpropan-2-amine
CID 130725780
methyl 3-hydroxy-2-methyl-3-thiophen-2-ylbutanoate
CID 72784913
2-(2-bromopropan-2-yl)thiophene
CID 174915633
(1S)-1-amino-1-thiophen-2-ylbutan-1-ol
CID 67452361
2-methyl-2-thiophen-2-ylpropanoic acid;hydrochloride
CID 67842906
(1R)-1-phenyl-1-thiophen-2-ylethanol
CID 674763

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1,1-dithiophen-2-ylpropan-1-ol;hydrochloride?
The IUPAC name of 2-(dimethylamino)-1,1-dithiophen-2-ylpropan-1-ol;hydrochloride (CID 24843505) is 2-(dimethylamino)-1,1-dithiophen-2-ylpropan-1-ol;hydrochloride.
What is the SMILES notation for 2-(dimethylamino)-1,1-dithiophen-2-ylpropan-1-ol;hydrochloride?
The canonical SMILES for 2-(dimethylamino)-1,1-dithiophen-2-ylpropan-1-ol;hydrochloride is CC(N(C)C)C(O)(c1cccs1)c1cccs1.Cl.
What is the InChIKey of 2-(dimethylamino)-1,1-dithiophen-2-ylpropan-1-ol;hydrochloride?
The InChIKey is RJWNKTGVXLPBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NOS2.ClH/c1-10(14(2)3)13(15,11-6-4-8-16-11)12-7-5-9-17-12;/h4-10,15H,1-3H3;1H.
What are the key properties of 2-(dimethylamino)-1,1-dithiophen-2-ylpropan-1-ol;hydrochloride?
2-(dimethylamino)-1,1-dithiophen-2-ylpropan-1-ol;hydrochloride has a molecular weight of 303.88 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1,1-dithiophen-2-ylpropan-1-ol;hydrochloride is sourced from PubChem (CID 24843505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).