N-[(1S,2S)-2-hydroxycyclohexyl]-5-methylthiophene-2-carboxamide

C12H17NO2S — CID 104957425

IUPACN-[(1S,2S)-2-hydroxycyclohexyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)N[C@H]2CCCC[C@@H]2O)s1
InChIInChI=1S/C12H17NO2S/c1-8-6-7-11(16-8)12(15)13-9-4-2-3-5-10(9)14/h6-7,9-10,14H,2-5H2,1H3,(H,13,15)/t9-,10-/m0/s1
InChIKeyKPELEECPSZWMNP-UWVGGRQHSA-N
MW239.34 g/mol
LogP2.09
Rot. Bonds2

About N-[(1S,2S)-2-hydroxycyclohexyl]-5-methylthiophene-2-carboxamide

N-[(1S,2S)-2-hydroxycyclohexyl]-5-methylthiophene-2-carboxamide (PubChem CID 104957425) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is N-[(1S,2S)-2-hydroxycyclohexyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-hydroxycyclohexyl]-5-methylthiophene-2-carboxamide
PubChem CID104957425
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC NameN-[(1S,2S)-2-hydroxycyclohexyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)N[C@H]2CCCC[C@@H]2O)s1
InChIInChI=1S/C12H17NO2S/c1-8-6-7-11(16-8)12(15)13-9-4-2-3-5-10(9)14/h6-7,9-10,14H,2-5H2,1H3,(H,13,15)/t9-,10-/m0/s1
InChIKeyKPELEECPSZWMNP-UWVGGRQHSA-N
XLogP2.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chlorocyclohexyl)-5-methylthiophene-2-carboxamide
CID 114301167
5-bromo-N-(2-hydroxycyclohexyl)thiophene-2-carboxamide
CID 62360157
N-[(1R,2R,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]-5-methylthiophene-2-carboxamide
CID 110127788
(E)-N-(2-hydroxycyclohexyl)-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 55063839
N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-5-methylthiophene-2-carboxamide
CID 154823440
N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-4-propylthiophene-2-carboxamide
CID 104957169
N-(2-cyclopentyl-2-hydroxyethyl)-5-methylthiophene-2-carboxamide
CID 111426354
N-[(1R,2R,3R)-3-(4-acetylpiperazin-1-yl)-2-hydroxycyclopentyl]-5-methylthiophene-2-carboxamide
CID 110127722
N-(2-hydroxycyclohexyl)thiadiazole-5-carboxamide
CID 62358685
N-[(1S,2S)-2-hydroxycyclohexyl]-2-propyl-1,3-thiazole-5-carboxamide
CID 126793620
[2-(cyclooctylamino)-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate
CID 4271051
5-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-1-benzothiophene-2-carboxamide
CID 107211414

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-hydroxycyclohexyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[(1S,2S)-2-hydroxycyclohexyl]-5-methylthiophene-2-carboxamide (CID 104957425) is N-[(1S,2S)-2-hydroxycyclohexyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[(1S,2S)-2-hydroxycyclohexyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[(1S,2S)-2-hydroxycyclohexyl]-5-methylthiophene-2-carboxamide is Cc1ccc(C(=O)N[C@H]2CCCC[C@@H]2O)s1.
What is the InChIKey of N-[(1S,2S)-2-hydroxycyclohexyl]-5-methylthiophene-2-carboxamide?
The InChIKey is KPELEECPSZWMNP-UWVGGRQHSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-8-6-7-11(16-8)12(15)13-9-4-2-3-5-10(9)14/h6-7,9-10,14H,2-5H2,1H3,(H,13,15)/t9-,10-/m0/s1.
What are the key properties of N-[(1S,2S)-2-hydroxycyclohexyl]-5-methylthiophene-2-carboxamide?
N-[(1S,2S)-2-hydroxycyclohexyl]-5-methylthiophene-2-carboxamide has a molecular weight of 239.34 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-hydroxycyclohexyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 104957425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).