4-[1-(cyclohexylcarbamoyl)cyclohexyl]-5-oxothiomorpholine-3-carboxamide

C18H29N3O3S — CID 135003537

IUPAC4-[1-(cyclohexylcarbamoyl)cyclohexyl]-5-oxothiomorpholine-3-carboxamide
SMILESNC(=O)C1CSCC(=O)N1C1(C(=O)NC2CCCCC2)CCCCC1
InChIInChI=1S/C18H29N3O3S/c19-16(23)14-11-25-12-15(22)21(14)18(9-5-2-6-10-18)17(24)20-13-7-3-1-4-8-13/h13-14H,1-12H2,(H2,19,23)(H,20,24)
InChIKeyGFDQRPGFSYWNNT-UHFFFAOYSA-N
MW367.52 g/mol
LogP1.57
Rot. Bonds4

About 4-[1-(cyclohexylcarbamoyl)cyclohexyl]-5-oxothiomorpholine-3-carboxamide

4-[1-(cyclohexylcarbamoyl)cyclohexyl]-5-oxothiomorpholine-3-carboxamide (PubChem CID 135003537) has the molecular formula C18H29N3O3S and a molecular weight of 367.52 g/mol. Its IUPAC name is 4-[1-(cyclohexylcarbamoyl)cyclohexyl]-5-oxothiomorpholine-3-carboxamide.

Molecular Properties

Compound Name4-[1-(cyclohexylcarbamoyl)cyclohexyl]-5-oxothiomorpholine-3-carboxamide
PubChem CID135003537
Molecular FormulaC18H29N3O3S
Molecular Weight367.52 g/mol
Exact Mass367.19
IUPAC Name4-[1-(cyclohexylcarbamoyl)cyclohexyl]-5-oxothiomorpholine-3-carboxamide
SMILESNC(=O)C1CSCC(=O)N1C1(C(=O)NC2CCCCC2)CCCCC1
InChIInChI=1S/C18H29N3O3S/c19-16(23)14-11-25-12-15(22)21(14)18(9-5-2-6-10-18)17(24)20-13-7-3-1-4-8-13/h13-14H,1-12H2,(H2,19,23)(H,20,24)
InChIKeyGFDQRPGFSYWNNT-UHFFFAOYSA-N
XLogP1.57
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[1-(cyclohexylcarbamoyl)cyclohexyl]-5-oxothiomorpholine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R,6S)-6-Butyl-1-cyclohexylmethyl-3-mercaptomethyl-piperazine-2,5-dione
CID 9857957
(3R,6S)-1,6-Bis-cyclohexylmethyl-3-mercaptomethyl-piperazine-2,5-dione
CID 10269453
(3S,6S)-1,6-Bis-cyclohexylmethyl-3-mercaptomethyl-piperazine-2,5-dione
CID 10155008
(3R,6R)-1,6-Bis-cyclohexylmethyl-3-mercaptomethyl-piperazine-2,5-dione
CID 10269452
N-[(2R)-1-(methylamino)-3-methylsulfanyl-1-oxopropan-2-yl]cyclohexanecarboxamide
CID 145989285
(3S,6R)-1,6-Bis-cyclohexylmethyl-3-mercaptomethyl-piperazine-2,5-dione
CID 10155007
4-methyl-N-[1-{[2-(4-methylpiperidin-1-yl)ethyl]amino}-4-(methylsulfanyl)-1-oxobutan-2-yl]cyclohexanecarboxamide
CID 16187658
N-propan-2-yl-2-(1-thia-4-azaspiro[5.5]undecan-4-yl)acetamide
CID 72103318
(3S)-4-[(2R)-2-amino-3-sulfanylpropanoyl]-3-(cyclohexylmethyl)piperazin-2-one
CID 155563838
1,6-Bis(cyclohexylmethyl)-3-(sulfanylmethyl)piperazine-2,5-dione
CID 9950408
4-[1-(Butylcarbamoyl)cyclohexyl]-5-oxothiomorpholine-3-carboxamide
CID 135002030
4-[1-(Butylcarbamoyl)cycloheptyl]-5-oxothiomorpholine-3-carboxamide
CID 135002257

Frequently Asked Questions

What is the IUPAC name of 4-[1-(cyclohexylcarbamoyl)cyclohexyl]-5-oxothiomorpholine-3-carboxamide?
The IUPAC name of 4-[1-(cyclohexylcarbamoyl)cyclohexyl]-5-oxothiomorpholine-3-carboxamide (CID 135003537) is 4-[1-(cyclohexylcarbamoyl)cyclohexyl]-5-oxothiomorpholine-3-carboxamide.
What is the SMILES notation for 4-[1-(cyclohexylcarbamoyl)cyclohexyl]-5-oxothiomorpholine-3-carboxamide?
The canonical SMILES for 4-[1-(cyclohexylcarbamoyl)cyclohexyl]-5-oxothiomorpholine-3-carboxamide is NC(=O)C1CSCC(=O)N1C1(C(=O)NC2CCCCC2)CCCCC1.
What is the InChIKey of 4-[1-(cyclohexylcarbamoyl)cyclohexyl]-5-oxothiomorpholine-3-carboxamide?
The InChIKey is GFDQRPGFSYWNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3S/c19-16(23)14-11-25-12-15(22)21(14)18(9-5-2-6-10-18)17(24)20-13-7-3-1-4-8-13/h13-14H,1-12H2,(H2,19,23)(H,20,24).
What are the key properties of 4-[1-(cyclohexylcarbamoyl)cyclohexyl]-5-oxothiomorpholine-3-carboxamide?
4-[1-(cyclohexylcarbamoyl)cyclohexyl]-5-oxothiomorpholine-3-carboxamide has a molecular weight of 367.52 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(cyclohexylcarbamoyl)cyclohexyl]-5-oxothiomorpholine-3-carboxamide is sourced from PubChem (CID 135003537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).