N-[1-(hydroxymethyl)-4-methylcyclohexyl]thiomorpholine-3-carboxamide

C13H24N2O2S — CID 82908761

IUPACN-[1-(hydroxymethyl)-4-methylcyclohexyl]thiomorpholine-3-carboxamide
SMILESCC1CCC(CO)(NC(=O)C2CSCCN2)CC1
InChIInChI=1S/C13H24N2O2S/c1-10-2-4-13(9-16,5-3-10)15-12(17)11-8-18-7-6-14-11/h10-11,14,16H,2-9H2,1H3,(H,15,17)
InChIKeyPVLSDHPUDOYKIO-UHFFFAOYSA-N
MW272.41 g/mol
LogP0.75
Rot. Bonds3

About N-[1-(hydroxymethyl)-4-methylcyclohexyl]thiomorpholine-3-carboxamide

N-[1-(hydroxymethyl)-4-methylcyclohexyl]thiomorpholine-3-carboxamide (PubChem CID 82908761) has the molecular formula C13H24N2O2S and a molecular weight of 272.41 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)-4-methylcyclohexyl]thiomorpholine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)-4-methylcyclohexyl]thiomorpholine-3-carboxamide
PubChem CID82908761
Molecular FormulaC13H24N2O2S
Molecular Weight272.41 g/mol
Exact Mass272.16
IUPAC NameN-[1-(hydroxymethyl)-4-methylcyclohexyl]thiomorpholine-3-carboxamide
SMILESCC1CCC(CO)(NC(=O)C2CSCCN2)CC1
InChIInChI=1S/C13H24N2O2S/c1-10-2-4-13(9-16,5-3-10)15-12(17)11-8-18-7-6-14-11/h10-11,14,16H,2-9H2,1H3,(H,15,17)
InChIKeyPVLSDHPUDOYKIO-UHFFFAOYSA-N
XLogP0.75
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(hydroxymethyl)cyclopentyl]thiomorpholine-3-carboxamide
CID 82908673
2-[1-(thiomorpholine-3-carbonylamino)cyclopentyl]acetic acid
CID 82917741
N-[1-(hydroxymethyl)-4-methylcyclohexyl]cyclopropanecarboxamide
CID 62525414
N-(4-methylcyclohexyl)thiomorpholine-3-carboxamide
CID 82905560
2-[[1-(hydroxymethyl)-4-methylcyclohexyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 62553169
N-[2-(4-methylcyclohexyl)ethyl]thiomorpholine-3-carboxamide
CID 82917563
N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-(thian-4-yl)acetamide
CID 83135926
N-[[1-(hydroxymethyl)cyclohexyl]methyl]thiomorpholine-3-carboxamide
CID 113359665
(1S,6R)-6-[[1-(hydroxymethyl)-4-methylcyclohexyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 104962384
(2R,5S)-5-[[1-(hydroxymethyl)-4-methylcyclohexyl]carbamoyl]oxolane-2-carboxylic acid
CID 102945188
2-amino-2-ethyl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]butanamide
CID 79813853
(2S)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]oxolane-2-carboxamide
CID 94468705

Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)-4-methylcyclohexyl]thiomorpholine-3-carboxamide?
The IUPAC name of N-[1-(hydroxymethyl)-4-methylcyclohexyl]thiomorpholine-3-carboxamide (CID 82908761) is N-[1-(hydroxymethyl)-4-methylcyclohexyl]thiomorpholine-3-carboxamide.
What is the SMILES notation for N-[1-(hydroxymethyl)-4-methylcyclohexyl]thiomorpholine-3-carboxamide?
The canonical SMILES for N-[1-(hydroxymethyl)-4-methylcyclohexyl]thiomorpholine-3-carboxamide is CC1CCC(CO)(NC(=O)C2CSCCN2)CC1.
What is the InChIKey of N-[1-(hydroxymethyl)-4-methylcyclohexyl]thiomorpholine-3-carboxamide?
The InChIKey is PVLSDHPUDOYKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2S/c1-10-2-4-13(9-16,5-3-10)15-12(17)11-8-18-7-6-14-11/h10-11,14,16H,2-9H2,1H3,(H,15,17).
What are the key properties of N-[1-(hydroxymethyl)-4-methylcyclohexyl]thiomorpholine-3-carboxamide?
N-[1-(hydroxymethyl)-4-methylcyclohexyl]thiomorpholine-3-carboxamide has a molecular weight of 272.41 g/mol, XLogP of 0.75, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)-4-methylcyclohexyl]thiomorpholine-3-carboxamide is sourced from PubChem (CID 82908761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).