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

C19H31N3O3S — CID 135003772

IUPAC4-[1-(cyclohexylcarbamoyl)cycloheptyl]-5-oxothiomorpholine-3-carboxamide
SMILESNC(=O)C1CSCC(=O)N1C1(C(=O)NC2CCCCC2)CCCCCC1
InChIInChI=1S/C19H31N3O3S/c20-17(24)15-12-26-13-16(23)22(15)19(10-6-1-2-7-11-19)18(25)21-14-8-4-3-5-9-14/h14-15H,1-13H2,(H2,20,24)(H,21,25)
InChIKeySSABPOIHGWKKDX-UHFFFAOYSA-N
MW381.54 g/mol
LogP1.96
Rot. Bonds4

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

4-[1-(cyclohexylcarbamoyl)cycloheptyl]-5-oxothiomorpholine-3-carboxamide (PubChem CID 135003772) has the molecular formula C19H31N3O3S and a molecular weight of 381.54 g/mol. Its IUPAC name is 4-[1-(cyclohexylcarbamoyl)cycloheptyl]-5-oxothiomorpholine-3-carboxamide.

Molecular Properties

Compound Name4-[1-(cyclohexylcarbamoyl)cycloheptyl]-5-oxothiomorpholine-3-carboxamide
PubChem CID135003772
Molecular FormulaC19H31N3O3S
Molecular Weight381.54 g/mol
Exact Mass381.21
IUPAC Name4-[1-(cyclohexylcarbamoyl)cycloheptyl]-5-oxothiomorpholine-3-carboxamide
SMILESNC(=O)C1CSCC(=O)N1C1(C(=O)NC2CCCCC2)CCCCCC1
InChIInChI=1S/C19H31N3O3S/c20-17(24)15-12-26-13-16(23)22(15)19(10-6-1-2-7-11-19)18(25)21-14-8-4-3-5-9-14/h14-15H,1-13H2,(H2,20,24)(H,21,25)
InChIKeySSABPOIHGWKKDX-UHFFFAOYSA-N
XLogP1.96
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.54
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 43822320
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CID 69234976
N-cyclooctyl-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide
CID 80590605
N-cyclohexyl-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 42892801
N-cyclohexyl-1-(3,6-dioxo-5-phenyl-2H-1,2,4-triazin-1-yl)cyclohexane-1-carboxamide
CID 11509481
1-N-cyclohexyl-1-N'-cyclopropylcyclopropane-1,1-dicarboxamide
CID 108970589
(3S,7aS)-N-cyclopentyl-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 95249508
N-cyclohexyl-1-methylcyclopropane-1-carboxamide
CID 130162659
1-amino-N-(4-carbamoylcyclohexyl)cyclohexane-1-carboxamide
CID 43698376
4-[(4-chlorophenyl)methyl]-N-cyclohexyl-3-methyl-5-oxothiomorpholine-3-carboxamide
CID 12013366
(3E)-1-cyclohexyl-3-(4-oxo-1,3-thiazolidin-2-ylidene)urea
CID 135643498
1-cyano-N-cyclooctylcyclopentane-1-carboxamide
CID 29240923

Frequently Asked Questions

What is the IUPAC name of 4-[1-(cyclohexylcarbamoyl)cycloheptyl]-5-oxothiomorpholine-3-carboxamide?
The IUPAC name of 4-[1-(cyclohexylcarbamoyl)cycloheptyl]-5-oxothiomorpholine-3-carboxamide (CID 135003772) is 4-[1-(cyclohexylcarbamoyl)cycloheptyl]-5-oxothiomorpholine-3-carboxamide.
What is the SMILES notation for 4-[1-(cyclohexylcarbamoyl)cycloheptyl]-5-oxothiomorpholine-3-carboxamide?
The canonical SMILES for 4-[1-(cyclohexylcarbamoyl)cycloheptyl]-5-oxothiomorpholine-3-carboxamide is NC(=O)C1CSCC(=O)N1C1(C(=O)NC2CCCCC2)CCCCCC1.
What is the InChIKey of 4-[1-(cyclohexylcarbamoyl)cycloheptyl]-5-oxothiomorpholine-3-carboxamide?
The InChIKey is SSABPOIHGWKKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3S/c20-17(24)15-12-26-13-16(23)22(15)19(10-6-1-2-7-11-19)18(25)21-14-8-4-3-5-9-14/h14-15H,1-13H2,(H2,20,24)(H,21,25).
What are the key properties of 4-[1-(cyclohexylcarbamoyl)cycloheptyl]-5-oxothiomorpholine-3-carboxamide?
4-[1-(cyclohexylcarbamoyl)cycloheptyl]-5-oxothiomorpholine-3-carboxamide has a molecular weight of 381.54 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(cyclohexylcarbamoyl)cycloheptyl]-5-oxothiomorpholine-3-carboxamide is sourced from PubChem (CID 135003772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).