N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-4-propylthiophene-2-carboxamide

C15H23NO2S — CID 104957169

IUPACN-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-4-propylthiophene-2-carboxamide
SMILESCCCc1cc(C(=O)N[C@H]2CCCC[C@@H]2O)sc1C
InChIInChI=1S/C15H23NO2S/c1-3-6-11-9-14(19-10(11)2)15(18)16-12-7-4-5-8-13(12)17/h9,12-13,17H,3-8H2,1-2H3,(H,16,18)/t12-,13-/m0/s1
InChIKeyOTTLWJBPRRFUGL-STQMWFEESA-N
MW281.42 g/mol
LogP3.04
Rot. Bonds4

About N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-4-propylthiophene-2-carboxamide

N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-4-propylthiophene-2-carboxamide (PubChem CID 104957169) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-4-propylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-4-propylthiophene-2-carboxamide
PubChem CID104957169
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC NameN-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-4-propylthiophene-2-carboxamide
SMILESCCCc1cc(C(=O)N[C@H]2CCCC[C@@H]2O)sc1C
InChIInChI=1S/C15H23NO2S/c1-3-6-11-9-14(19-10(11)2)15(18)16-12-7-4-5-8-13(12)17/h9,12-13,17H,3-8H2,1-2H3,(H,16,18)/t12-,13-/m0/s1
InChIKeyOTTLWJBPRRFUGL-STQMWFEESA-N
XLogP3.04
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-4-propylthiophene-2-carboxamide?
The IUPAC name of N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-4-propylthiophene-2-carboxamide (CID 104957169) is N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-4-propylthiophene-2-carboxamide.
What is the SMILES notation for N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-4-propylthiophene-2-carboxamide?
The canonical SMILES for N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-4-propylthiophene-2-carboxamide is CCCc1cc(C(=O)N[C@H]2CCCC[C@@H]2O)sc1C.
What is the InChIKey of N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-4-propylthiophene-2-carboxamide?
The InChIKey is OTTLWJBPRRFUGL-STQMWFEESA-N. The full InChI is InChI=1S/C15H23NO2S/c1-3-6-11-9-14(19-10(11)2)15(18)16-12-7-4-5-8-13(12)17/h9,12-13,17H,3-8H2,1-2H3,(H,16,18)/t12-,13-/m0/s1.
What are the key properties of N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-4-propylthiophene-2-carboxamide?
N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-4-propylthiophene-2-carboxamide has a molecular weight of 281.42 g/mol, XLogP of 3.04, 4 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-methyl-4-propylthiophene-2-carboxamide is sourced from PubChem (CID 104957169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).