N-[(1R,2S)-2-(methylcarbamoyl)cyclohexyl]-3-methylsulfanylthiophene-2-carboxamide

C14H20N2O2S2 — CID 97062231

IUPACN-[(1R,2S)-2-(methylcarbamoyl)cyclohexyl]-3-methylsulfanylthiophene-2-carboxamide
SMILESCNC(=O)[C@H]1CCCC[C@H]1NC(=O)c1sccc1SC
InChIInChI=1S/C14H20N2O2S2/c1-15-13(17)9-5-3-4-6-10(9)16-14(18)12-11(19-2)7-8-20-12/h7-10H,3-6H2,1-2H3,(H,15,17)(H,16,18)/t9-,10+/m0/s1
InChIKeyUBAPRNVTPYZSLE-VHSXEESVSA-N
MW312.46 g/mol
LogP2.50
Rot. Bonds4

About N-[(1R,2S)-2-(methylcarbamoyl)cyclohexyl]-3-methylsulfanylthiophene-2-carboxamide

N-[(1R,2S)-2-(methylcarbamoyl)cyclohexyl]-3-methylsulfanylthiophene-2-carboxamide (PubChem CID 97062231) has the molecular formula C14H20N2O2S2 and a molecular weight of 312.46 g/mol. Its IUPAC name is N-[(1R,2S)-2-(methylcarbamoyl)cyclohexyl]-3-methylsulfanylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-(methylcarbamoyl)cyclohexyl]-3-methylsulfanylthiophene-2-carboxamide
PubChem CID97062231
Molecular FormulaC14H20N2O2S2
Molecular Weight312.46 g/mol
Exact Mass312.10
IUPAC NameN-[(1R,2S)-2-(methylcarbamoyl)cyclohexyl]-3-methylsulfanylthiophene-2-carboxamide
SMILESCNC(=O)[C@H]1CCCC[C@H]1NC(=O)c1sccc1SC
InChIInChI=1S/C14H20N2O2S2/c1-15-13(17)9-5-3-4-6-10(9)16-14(18)12-11(19-2)7-8-20-12/h7-10H,3-6H2,1-2H3,(H,15,17)(H,16,18)/t9-,10+/m0/s1
InChIKeyUBAPRNVTPYZSLE-VHSXEESVSA-N
XLogP2.50
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-(methylcarbamoyl)cyclohexyl]-3-methylsulfanylthiophene-2-carboxamide?
The IUPAC name of N-[(1R,2S)-2-(methylcarbamoyl)cyclohexyl]-3-methylsulfanylthiophene-2-carboxamide (CID 97062231) is N-[(1R,2S)-2-(methylcarbamoyl)cyclohexyl]-3-methylsulfanylthiophene-2-carboxamide.
What is the SMILES notation for N-[(1R,2S)-2-(methylcarbamoyl)cyclohexyl]-3-methylsulfanylthiophene-2-carboxamide?
The canonical SMILES for N-[(1R,2S)-2-(methylcarbamoyl)cyclohexyl]-3-methylsulfanylthiophene-2-carboxamide is CNC(=O)[C@H]1CCCC[C@H]1NC(=O)c1sccc1SC.
What is the InChIKey of N-[(1R,2S)-2-(methylcarbamoyl)cyclohexyl]-3-methylsulfanylthiophene-2-carboxamide?
The InChIKey is UBAPRNVTPYZSLE-VHSXEESVSA-N. The full InChI is InChI=1S/C14H20N2O2S2/c1-15-13(17)9-5-3-4-6-10(9)16-14(18)12-11(19-2)7-8-20-12/h7-10H,3-6H2,1-2H3,(H,15,17)(H,16,18)/t9-,10+/m0/s1.
What are the key properties of N-[(1R,2S)-2-(methylcarbamoyl)cyclohexyl]-3-methylsulfanylthiophene-2-carboxamide?
N-[(1R,2S)-2-(methylcarbamoyl)cyclohexyl]-3-methylsulfanylthiophene-2-carboxamide has a molecular weight of 312.46 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-(methylcarbamoyl)cyclohexyl]-3-methylsulfanylthiophene-2-carboxamide is sourced from PubChem (CID 97062231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).