3-chloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)thiophene-2-carboxamide

C10H14ClNO2S2 — CID 106244209

IUPAC3-chloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)thiophene-2-carboxamide
SMILESCSCC(C)(O)CNC(=O)c1sccc1Cl
InChIInChI=1S/C10H14ClNO2S2/c1-10(14,6-15-2)5-12-9(13)8-7(11)3-4-16-8/h3-4,14H,5-6H2,1-2H3,(H,12,13)
InChIKeyJMIGIALWXMHJBR-UHFFFAOYSA-N
MW279.81 g/mol
LogP2.25
Rot. Bonds5

About 3-chloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)thiophene-2-carboxamide

3-chloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)thiophene-2-carboxamide (PubChem CID 106244209) has the molecular formula C10H14ClNO2S2 and a molecular weight of 279.81 g/mol. Its IUPAC name is 3-chloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)thiophene-2-carboxamide
PubChem CID106244209
Molecular FormulaC10H14ClNO2S2
Molecular Weight279.81 g/mol
Exact Mass279.02
IUPAC Name3-chloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)thiophene-2-carboxamide
SMILESCSCC(C)(O)CNC(=O)c1sccc1Cl
InChIInChI=1S/C10H14ClNO2S2/c1-10(14,6-15-2)5-12-9(13)8-7(11)3-4-16-8/h3-4,14H,5-6H2,1-2H3,(H,12,13)
InChIKeyJMIGIALWXMHJBR-UHFFFAOYSA-N
XLogP2.25
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-(2-hydroxy-2-methylbutyl)thiophene-2-carboxamide
CID 80642213
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)thiophene-3-carboxamide
CID 90522939
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)thieno[3,2-b]thiophene-5-carboxamide
CID 113239558
3-chloro-N-[2-(chloromethyl)-2-ethylbutyl]thiophene-2-carboxamide
CID 106254396
4-chloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pyridine-2-carboxamide
CID 113239570
ethyl 2-[(3-chlorothiophene-2-carbonyl)amino]acetate
CID 80641030
4-bromo-N-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]thiophene-2-carboxamide
CID 99695648
N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]-4-thiophen-3-ylbenzamide
CID 100701158
4-(dimethylamino)-N-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]benzamide
CID 95977014
5-chloro-2-hydroxy-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzamide
CID 113245885
3-[(3-chlorothiophene-2-carbonyl)amino]-2-methylpropanoic acid
CID 80645417
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-4-methylsulfanylbenzamide
CID 113239555

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)thiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)thiophene-2-carboxamide (CID 106244209) is 3-chloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)thiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)thiophene-2-carboxamide is CSCC(C)(O)CNC(=O)c1sccc1Cl.
What is the InChIKey of 3-chloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)thiophene-2-carboxamide?
The InChIKey is JMIGIALWXMHJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO2S2/c1-10(14,6-15-2)5-12-9(13)8-7(11)3-4-16-8/h3-4,14H,5-6H2,1-2H3,(H,12,13).
What are the key properties of 3-chloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)thiophene-2-carboxamide?
3-chloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)thiophene-2-carboxamide has a molecular weight of 279.81 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)thiophene-2-carboxamide is sourced from PubChem (CID 106244209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).