3-chloro-N-[(2S)-3-(dimethylamino)-2-hydroxypropyl]thiophene-2-carboxamide

C10H15ClN2O2S — CID 125435421

IUPAC3-chloro-N-[(2S)-3-(dimethylamino)-2-hydroxypropyl]thiophene-2-carboxamide
SMILESCN(C)C[C@@H](O)CNC(=O)c1sccc1Cl
InChIInChI=1S/C10H15ClN2O2S/c1-13(2)6-7(14)5-12-10(15)9-8(11)3-4-16-9/h3-4,7,14H,5-6H2,1-2H3,(H,12,15)/t7-/m0/s1
InChIKeyFELBRELUWOOATP-ZETCQYMHSA-N
MW262.76 g/mol
LogP1.05
Rot. Bonds5

About 3-chloro-N-[(2S)-3-(dimethylamino)-2-hydroxypropyl]thiophene-2-carboxamide

3-chloro-N-[(2S)-3-(dimethylamino)-2-hydroxypropyl]thiophene-2-carboxamide (PubChem CID 125435421) has the molecular formula C10H15ClN2O2S and a molecular weight of 262.76 g/mol. Its IUPAC name is 3-chloro-N-[(2S)-3-(dimethylamino)-2-hydroxypropyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[(2S)-3-(dimethylamino)-2-hydroxypropyl]thiophene-2-carboxamide
PubChem CID125435421
Molecular FormulaC10H15ClN2O2S
Molecular Weight262.76 g/mol
Exact Mass262.05
IUPAC Name3-chloro-N-[(2S)-3-(dimethylamino)-2-hydroxypropyl]thiophene-2-carboxamide
SMILESCN(C)C[C@@H](O)CNC(=O)c1sccc1Cl
InChIInChI=1S/C10H15ClN2O2S/c1-13(2)6-7(14)5-12-10(15)9-8(11)3-4-16-9/h3-4,7,14H,5-6H2,1-2H3,(H,12,15)/t7-/m0/s1
InChIKeyFELBRELUWOOATP-ZETCQYMHSA-N
XLogP1.05
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.76
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide
CID 2712625
5-Chloro-N-(((S)-oxiran-2-yl)methyl)thiophene-2-carboxamide
CID 53235992
3-Chloro-N-isopropyl-2-thiophenecarboxamide
CID 24212757
(((3-Chloro-2-thienyl)carbonyl)amino)acetic acid
CID 24212758
5-chloro-N-[2-hydroxy-2-methyl-4-(methylsulfanyl)butyl]thiophene-2-carboxamide
CID 71787284
5-chloro-N-(2-hydroxy-3-(2-oxopyridin-1(2H)-yl)propyl)thiophene-2-carboxamide
CID 76150354
N-(2-hydroxyethyl)thiophene-2-carboxamide
CID 13476284
5-chloro-N-(2-methoxyethyl)thiophene-2-carboxamide
CID 17217261
5-chloro-N-[(3S*,4S*)-1-ethyl-4-methoxypyrrolidin-3-yl]thiophene-2-carboxamide
CID 91764959
3-chloro-N-[(1R*,2S*)-2-hydroxycyclohexyl]-N-methylthiophene-2-carboxamide
CID 91780522
3-Chloro-N-{[1-(hydroxymethyl)cyclopropyl]methyl}thiophene-2-carboxamide
CID 115455299
N-[2-(tert-butylamino)-2-oxoethyl]-3-chloro-N-methylthiophene-2-carboxamide
CID 121527734

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2S)-3-(dimethylamino)-2-hydroxypropyl]thiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-[(2S)-3-(dimethylamino)-2-hydroxypropyl]thiophene-2-carboxamide (CID 125435421) is 3-chloro-N-[(2S)-3-(dimethylamino)-2-hydroxypropyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[(2S)-3-(dimethylamino)-2-hydroxypropyl]thiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-[(2S)-3-(dimethylamino)-2-hydroxypropyl]thiophene-2-carboxamide is CN(C)C[C@@H](O)CNC(=O)c1sccc1Cl.
What is the InChIKey of 3-chloro-N-[(2S)-3-(dimethylamino)-2-hydroxypropyl]thiophene-2-carboxamide?
The InChIKey is FELBRELUWOOATP-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H15ClN2O2S/c1-13(2)6-7(14)5-12-10(15)9-8(11)3-4-16-9/h3-4,7,14H,5-6H2,1-2H3,(H,12,15)/t7-/m0/s1.
What are the key properties of 3-chloro-N-[(2S)-3-(dimethylamino)-2-hydroxypropyl]thiophene-2-carboxamide?
3-chloro-N-[(2S)-3-(dimethylamino)-2-hydroxypropyl]thiophene-2-carboxamide has a molecular weight of 262.76 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(2S)-3-(dimethylamino)-2-hydroxypropyl]thiophene-2-carboxamide is sourced from PubChem (CID 125435421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).