N-[(1-hydroxycyclohexyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide

C15H21NO2S2 — CID 111485874

IUPACN-[(1-hydroxycyclohexyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide
SMILESO=C(NCC1(O)CCCCC1)C1SCCc2sccc21
InChIInChI=1S/C15H21NO2S2/c17-14(16-10-15(18)6-2-1-3-7-15)13-11-4-8-19-12(11)5-9-20-13/h4,8,13,18H,1-3,5-7,9-10H2,(H,16,17)
InChIKeyFOYSUHBQAFFPHR-UHFFFAOYSA-N
MW311.47 g/mol
LogP2.89
Rot. Bonds3

About N-[(1-hydroxycyclohexyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide

N-[(1-hydroxycyclohexyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide (PubChem CID 111485874) has the molecular formula C15H21NO2S2 and a molecular weight of 311.47 g/mol. Its IUPAC name is N-[(1-hydroxycyclohexyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclohexyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide
PubChem CID111485874
Molecular FormulaC15H21NO2S2
Molecular Weight311.47 g/mol
Exact Mass311.10
IUPAC NameN-[(1-hydroxycyclohexyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide
SMILESO=C(NCC1(O)CCCCC1)C1SCCc2sccc21
InChIInChI=1S/C15H21NO2S2/c17-14(16-10-15(18)6-2-1-3-7-15)13-11-4-8-19-12(11)5-9-20-13/h4,8,13,18H,1-3,5-7,9-10H2,(H,16,17)
InChIKeyFOYSUHBQAFFPHR-UHFFFAOYSA-N
XLogP2.89
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1-hydroxycyclohexyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide with MolForge

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Related Compounds

N-[(1-hydroxycyclopentyl)methyl]-3,4-dihydro-1H-isothiochromene-1-carboxamide
CID 111470169
4-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carbonylamino)butanoic acid
CID 119171053
N-[(2R)-2-(ethylamino)propyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide
CID 120653389
3-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carbonylamino)-2-phenylpropanoic acid
CID 119254980
1-[6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carbonyl(methyl)amino]cyclohexane-1-carboxylic acid
CID 120539367
(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carbonylamino)-3-phenylpropanoic acid
CID 119367191
(4S)-N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide
CID 96563295
N-[(1-hydroxycycloheptyl)methyl]-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 78993929
N-(2-methylpiperidin-3-yl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide
CID 120573958
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carbonyl)pyrrolidine-3-carboxamide
CID 71926335
(2R)-1-[(4S)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 124703037
N-[(1-hydroxycyclohexyl)methyl]cycloheptanecarboxamide
CID 65114198

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclohexyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide?
The IUPAC name of N-[(1-hydroxycyclohexyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide (CID 111485874) is N-[(1-hydroxycyclohexyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide.
What is the SMILES notation for N-[(1-hydroxycyclohexyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide?
The canonical SMILES for N-[(1-hydroxycyclohexyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide is O=C(NCC1(O)CCCCC1)C1SCCc2sccc21.
What is the InChIKey of N-[(1-hydroxycyclohexyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide?
The InChIKey is FOYSUHBQAFFPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2S2/c17-14(16-10-15(18)6-2-1-3-7-15)13-11-4-8-19-12(11)5-9-20-13/h4,8,13,18H,1-3,5-7,9-10H2,(H,16,17).
What are the key properties of N-[(1-hydroxycyclohexyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide?
N-[(1-hydroxycyclohexyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide has a molecular weight of 311.47 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclohexyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide is sourced from PubChem (CID 111485874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).