2-(carbamoylamino)-N-(cyclohexylmethyl)-4-methylsulfanylbutanamide

C13H25N3O2S — CID 2998764

IUPAC2-(carbamoylamino)-N-(cyclohexylmethyl)-4-methylsulfanylbutanamide
SMILESCSCCC(NC(N)=O)C(=O)NCC1CCCCC1
InChIInChI=1S/C13H25N3O2S/c1-19-8-7-11(16-13(14)18)12(17)15-9-10-5-3-2-4-6-10/h10-11H,2-9H2,1H3,(H,15,17)(H3,14,16,18)
InChIKeyHSGJWFQURYICLI-UHFFFAOYSA-N
MW287.43 g/mol
LogP1.47
Rot. Bonds7

About 2-(carbamoylamino)-N-(cyclohexylmethyl)-4-methylsulfanylbutanamide

2-(carbamoylamino)-N-(cyclohexylmethyl)-4-methylsulfanylbutanamide (PubChem CID 2998764) has the molecular formula C13H25N3O2S and a molecular weight of 287.43 g/mol. Its IUPAC name is 2-(carbamoylamino)-N-(cyclohexylmethyl)-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name2-(carbamoylamino)-N-(cyclohexylmethyl)-4-methylsulfanylbutanamide
PubChem CID2998764
Molecular FormulaC13H25N3O2S
Molecular Weight287.43 g/mol
Exact Mass287.17
IUPAC Name2-(carbamoylamino)-N-(cyclohexylmethyl)-4-methylsulfanylbutanamide
SMILESCSCCC(NC(N)=O)C(=O)NCC1CCCCC1
InChIInChI=1S/C13H25N3O2S/c1-19-8-7-11(16-13(14)18)12(17)15-9-10-5-3-2-4-6-10/h10-11H,2-9H2,1H3,(H,15,17)(H3,14,16,18)
InChIKeyHSGJWFQURYICLI-UHFFFAOYSA-N
XLogP1.47
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-N-(cyclohexylmethyl)-4-methylsulfanylbutanamide?
The IUPAC name of 2-(carbamoylamino)-N-(cyclohexylmethyl)-4-methylsulfanylbutanamide (CID 2998764) is 2-(carbamoylamino)-N-(cyclohexylmethyl)-4-methylsulfanylbutanamide.
What is the SMILES notation for 2-(carbamoylamino)-N-(cyclohexylmethyl)-4-methylsulfanylbutanamide?
The canonical SMILES for 2-(carbamoylamino)-N-(cyclohexylmethyl)-4-methylsulfanylbutanamide is CSCCC(NC(N)=O)C(=O)NCC1CCCCC1.
What is the InChIKey of 2-(carbamoylamino)-N-(cyclohexylmethyl)-4-methylsulfanylbutanamide?
The InChIKey is HSGJWFQURYICLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2S/c1-19-8-7-11(16-13(14)18)12(17)15-9-10-5-3-2-4-6-10/h10-11H,2-9H2,1H3,(H,15,17)(H3,14,16,18).
What are the key properties of 2-(carbamoylamino)-N-(cyclohexylmethyl)-4-methylsulfanylbutanamide?
2-(carbamoylamino)-N-(cyclohexylmethyl)-4-methylsulfanylbutanamide has a molecular weight of 287.43 g/mol, XLogP of 1.47, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-N-(cyclohexylmethyl)-4-methylsulfanylbutanamide is sourced from PubChem (CID 2998764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).