(3S)-N-[1-(hydroxymethyl)cyclohexyl]-6,6-dimethyl-5-oxothiomorpholine-3-carboxamide

C14H24N2O3S — CID 125446392

IUPAC(3S)-N-[1-(hydroxymethyl)cyclohexyl]-6,6-dimethyl-5-oxothiomorpholine-3-carboxamide
SMILESCC1(C)SC[C@H](C(=O)NC2(CO)CCCCC2)NC1=O
InChIInChI=1S/C14H24N2O3S/c1-13(2)12(19)15-10(8-20-13)11(18)16-14(9-17)6-4-3-5-7-14/h10,17H,3-9H2,1-2H3,(H,15,19)(H,16,18)/t10-/m1/s1
InChIKeyLRXBSUWOVGMBTG-SNVBAGLBSA-N
MW300.42 g/mol
LogP0.81
Rot. Bonds3

About (3S)-N-[1-(hydroxymethyl)cyclohexyl]-6,6-dimethyl-5-oxothiomorpholine-3-carboxamide

(3S)-N-[1-(hydroxymethyl)cyclohexyl]-6,6-dimethyl-5-oxothiomorpholine-3-carboxamide (PubChem CID 125446392) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is (3S)-N-[1-(hydroxymethyl)cyclohexyl]-6,6-dimethyl-5-oxothiomorpholine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[1-(hydroxymethyl)cyclohexyl]-6,6-dimethyl-5-oxothiomorpholine-3-carboxamide
PubChem CID125446392
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC Name(3S)-N-[1-(hydroxymethyl)cyclohexyl]-6,6-dimethyl-5-oxothiomorpholine-3-carboxamide
SMILESCC1(C)SC[C@H](C(=O)NC2(CO)CCCCC2)NC1=O
InChIInChI=1S/C14H24N2O3S/c1-13(2)12(19)15-10(8-20-13)11(18)16-14(9-17)6-4-3-5-7-14/h10,17H,3-9H2,1-2H3,(H,15,19)(H,16,18)/t10-/m1/s1
InChIKeyLRXBSUWOVGMBTG-SNVBAGLBSA-N
XLogP0.81
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(hydroxymethyl)cyclopentyl]thiomorpholine-3-carboxamide
CID 82908673
methyl 2,2-dimethyl-3-oxo-1,4-thiazepane-5-carboxylate
CID 14969976
N-[1-(hydroxymethyl)-4-methylcyclohexyl]thiomorpholine-3-carboxamide
CID 82908761
N-[1-(hydroxymethyl)cyclobutyl]cycloheptanecarboxamide
CID 115878103
N-[1-(hydroxymethyl)cyclohexyl]pyrrolidine-3-carboxamide
CID 63006732
N-[1-(hydroxymethyl)cyclobutyl]cyclopropanecarboxamide
CID 115878461
N-[1-(hydroxymethyl)cyclobutyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 103881165
6,6-dimethyl-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-5-oxothiomorpholine-3-carboxamide
CID 74241635
1-acetyl-N-[1-(hydroxymethyl)cyclohexyl]piperidine-4-carboxamide
CID 62520575
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-6,6-dimethyl-5-oxothiomorpholine-3-carboxamide
CID 118766364
N-[1-(hydroxymethyl)cyclopropyl]cycloheptanecarboxamide
CID 115764905
2-[1-[[(2R)-piperidine-2-carbonyl]amino]cyclohexyl]acetic acid
CID 104914061

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[1-(hydroxymethyl)cyclohexyl]-6,6-dimethyl-5-oxothiomorpholine-3-carboxamide?
The IUPAC name of (3S)-N-[1-(hydroxymethyl)cyclohexyl]-6,6-dimethyl-5-oxothiomorpholine-3-carboxamide (CID 125446392) is (3S)-N-[1-(hydroxymethyl)cyclohexyl]-6,6-dimethyl-5-oxothiomorpholine-3-carboxamide.
What is the SMILES notation for (3S)-N-[1-(hydroxymethyl)cyclohexyl]-6,6-dimethyl-5-oxothiomorpholine-3-carboxamide?
The canonical SMILES for (3S)-N-[1-(hydroxymethyl)cyclohexyl]-6,6-dimethyl-5-oxothiomorpholine-3-carboxamide is CC1(C)SC[C@H](C(=O)NC2(CO)CCCCC2)NC1=O.
What is the InChIKey of (3S)-N-[1-(hydroxymethyl)cyclohexyl]-6,6-dimethyl-5-oxothiomorpholine-3-carboxamide?
The InChIKey is LRXBSUWOVGMBTG-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-13(2)12(19)15-10(8-20-13)11(18)16-14(9-17)6-4-3-5-7-14/h10,17H,3-9H2,1-2H3,(H,15,19)(H,16,18)/t10-/m1/s1.
What are the key properties of (3S)-N-[1-(hydroxymethyl)cyclohexyl]-6,6-dimethyl-5-oxothiomorpholine-3-carboxamide?
(3S)-N-[1-(hydroxymethyl)cyclohexyl]-6,6-dimethyl-5-oxothiomorpholine-3-carboxamide has a molecular weight of 300.42 g/mol, XLogP of 0.81, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[1-(hydroxymethyl)cyclohexyl]-6,6-dimethyl-5-oxothiomorpholine-3-carboxamide is sourced from PubChem (CID 125446392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).