N-[4-(methylamino)cyclohexyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide

C15H22N2OS2 — CID 81261934

IUPACN-[4-(methylamino)cyclohexyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
SMILESCNC1CCC(NC(=O)c2cc3c(s2)CCSC3)CC1
InChIInChI=1S/C15H22N2OS2/c1-16-11-2-4-12(5-3-11)17-15(18)14-8-10-9-19-7-6-13(10)20-14/h8,11-12,16H,2-7,9H2,1H3,(H,17,18)
InChIKeyAYJYZBQTXGSRHV-UHFFFAOYSA-N
MW310.49 g/mol
LogP2.80
Rot. Bonds3

About N-[4-(methylamino)cyclohexyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide

N-[4-(methylamino)cyclohexyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide (PubChem CID 81261934) has the molecular formula C15H22N2OS2 and a molecular weight of 310.49 g/mol. Its IUPAC name is N-[4-(methylamino)cyclohexyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide.

Molecular Properties

Compound NameN-[4-(methylamino)cyclohexyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
PubChem CID81261934
Molecular FormulaC15H22N2OS2
Molecular Weight310.49 g/mol
Exact Mass310.12
IUPAC NameN-[4-(methylamino)cyclohexyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
SMILESCNC1CCC(NC(=O)c2cc3c(s2)CCSC3)CC1
InChIInChI=1S/C15H22N2OS2/c1-16-11-2-4-12(5-3-11)17-15(18)14-8-10-9-19-7-6-13(10)20-14/h8,11-12,16H,2-7,9H2,1H3,(H,17,18)
InChIKeyAYJYZBQTXGSRHV-UHFFFAOYSA-N
XLogP2.80
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.49
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(methylamino)cyclohexyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide?
The IUPAC name of N-[4-(methylamino)cyclohexyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide (CID 81261934) is N-[4-(methylamino)cyclohexyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide.
What is the SMILES notation for N-[4-(methylamino)cyclohexyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide?
The canonical SMILES for N-[4-(methylamino)cyclohexyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide is CNC1CCC(NC(=O)c2cc3c(s2)CCSC3)CC1.
What is the InChIKey of N-[4-(methylamino)cyclohexyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide?
The InChIKey is AYJYZBQTXGSRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS2/c1-16-11-2-4-12(5-3-11)17-15(18)14-8-10-9-19-7-6-13(10)20-14/h8,11-12,16H,2-7,9H2,1H3,(H,17,18).
What are the key properties of N-[4-(methylamino)cyclohexyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide?
N-[4-(methylamino)cyclohexyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide has a molecular weight of 310.49 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methylamino)cyclohexyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide is sourced from PubChem (CID 81261934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).