3-chloro-N-[(1R,2S)-2-hydroxycyclohexyl]-N-methylthiophene-2-carboxamide

C12H16ClNO2S — CID 91780522

IUPAC3-chloro-N-[(1R,2S)-2-hydroxycyclohexyl]-N-methylthiophene-2-carboxamide
SMILESCN(C(=O)c1sccc1Cl)[C@@H]1CCCC[C@@H]1O
InChIInChI=1S/C12H16ClNO2S/c1-14(9-4-2-3-5-10(9)15)12(16)11-8(13)6-7-17-11/h6-7,9-10,15H,2-5H2,1H3/t9-,10+/m1/s1
InChIKeyRBORQVXNXICPAK-ZJUUUORDSA-N
MW273.78 g/mol
LogP2.78
Rot. Bonds2

About 3-chloro-N-[(1R,2S)-2-hydroxycyclohexyl]-N-methylthiophene-2-carboxamide

3-chloro-N-[(1R,2S)-2-hydroxycyclohexyl]-N-methylthiophene-2-carboxamide (PubChem CID 91780522) has the molecular formula C12H16ClNO2S and a molecular weight of 273.78 g/mol. Its IUPAC name is 3-chloro-N-[(1R,2S)-2-hydroxycyclohexyl]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[(1R,2S)-2-hydroxycyclohexyl]-N-methylthiophene-2-carboxamide
PubChem CID91780522
Molecular FormulaC12H16ClNO2S
Molecular Weight273.78 g/mol
Exact Mass273.06
IUPAC Name3-chloro-N-[(1R,2S)-2-hydroxycyclohexyl]-N-methylthiophene-2-carboxamide
SMILESCN(C(=O)c1sccc1Cl)[C@@H]1CCCC[C@@H]1O
InChIInChI=1S/C12H16ClNO2S/c1-14(9-4-2-3-5-10(9)15)12(16)11-8(13)6-7-17-11/h6-7,9-10,15H,2-5H2,1H3/t9-,10+/m1/s1
InChIKeyRBORQVXNXICPAK-ZJUUUORDSA-N
XLogP2.78
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.78
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(1R,2S)-2-hydroxycyclohexyl]-N-methylthiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-[(1R,2S)-2-hydroxycyclohexyl]-N-methylthiophene-2-carboxamide (CID 91780522) is 3-chloro-N-[(1R,2S)-2-hydroxycyclohexyl]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[(1R,2S)-2-hydroxycyclohexyl]-N-methylthiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-[(1R,2S)-2-hydroxycyclohexyl]-N-methylthiophene-2-carboxamide is CN(C(=O)c1sccc1Cl)[C@@H]1CCCC[C@@H]1O.
What is the InChIKey of 3-chloro-N-[(1R,2S)-2-hydroxycyclohexyl]-N-methylthiophene-2-carboxamide?
The InChIKey is RBORQVXNXICPAK-ZJUUUORDSA-N. The full InChI is InChI=1S/C12H16ClNO2S/c1-14(9-4-2-3-5-10(9)15)12(16)11-8(13)6-7-17-11/h6-7,9-10,15H,2-5H2,1H3/t9-,10+/m1/s1.
What are the key properties of 3-chloro-N-[(1R,2S)-2-hydroxycyclohexyl]-N-methylthiophene-2-carboxamide?
3-chloro-N-[(1R,2S)-2-hydroxycyclohexyl]-N-methylthiophene-2-carboxamide has a molecular weight of 273.78 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(1R,2S)-2-hydroxycyclohexyl]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 91780522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).