2-carbamothioyl-N-(2-cyclohexyloxyethyl)pentanamide

C14H26N2O2S — CID 55259925

IUPAC2-carbamothioyl-N-(2-cyclohexyloxyethyl)pentanamide
SMILESCCCC(C(=O)NCCOC1CCCCC1)C(N)=S
InChIInChI=1S/C14H26N2O2S/c1-2-6-12(13(15)19)14(17)16-9-10-18-11-7-4-3-5-8-11/h11-12H,2-10H2,1H3,(H2,15,19)(H,16,17)
InChIKeyMDGUVRKHKLRXBA-UHFFFAOYSA-N
MW286.44 g/mol
LogP2.15
Rot. Bonds8

About 2-carbamothioyl-N-(2-cyclohexyloxyethyl)pentanamide

2-carbamothioyl-N-(2-cyclohexyloxyethyl)pentanamide (PubChem CID 55259925) has the molecular formula C14H26N2O2S and a molecular weight of 286.44 g/mol. Its IUPAC name is 2-carbamothioyl-N-(2-cyclohexyloxyethyl)pentanamide.

Molecular Properties

Compound Name2-carbamothioyl-N-(2-cyclohexyloxyethyl)pentanamide
PubChem CID55259925
Molecular FormulaC14H26N2O2S
Molecular Weight286.44 g/mol
Exact Mass286.17
IUPAC Name2-carbamothioyl-N-(2-cyclohexyloxyethyl)pentanamide
SMILESCCCC(C(=O)NCCOC1CCCCC1)C(N)=S
InChIInChI=1S/C14H26N2O2S/c1-2-6-12(13(15)19)14(17)16-9-10-18-11-7-4-3-5-8-11/h11-12H,2-10H2,1H3,(H2,15,19)(H,16,17)
InChIKeyMDGUVRKHKLRXBA-UHFFFAOYSA-N
XLogP2.15
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino-N-(2-cyclohexyloxyethyl)pentanamide
CID 98582827
2-amino-N-(2-cyclopentyloxyethyl)pentanamide
CID 63827048
(2R)-2-amino-N-(2-cyclopentyloxyethyl)pentanamide
CID 103795665
(2S)-2-amino-N-(2-cyclopentyloxyethyl)hexanamide
CID 98585845
(2R)-2-amino-N-(2-cycloheptyloxyethyl)propanamide;hydrochloride
CID 119325372
N-(2-cyclopentyloxyethyl)-3-(ethylamino)-2-methylpropanamide
CID 63828827
2-amino-N-(2-cyclopentyloxyethyl)-3-methylbutanamide
CID 63828819
(2R)-2-amino-N-(2-cyclohexyloxyethyl)-4-methylsulfanylbutanamide
CID 104908500
2-amino-N-(2-cyclopentyloxyethyl)-3,3-dimethylbutanamide
CID 77009240
N-(2-cyclohexyloxyethyl)cyclohexanecarboxamide
CID 140689700
4-cycloheptyloxy-2-(propylamino)butanamide
CID 63039984
4-cyclohexyloxy-2-(propylamino)butanamide
CID 63039498

Frequently Asked Questions

What is the IUPAC name of 2-carbamothioyl-N-(2-cyclohexyloxyethyl)pentanamide?
The IUPAC name of 2-carbamothioyl-N-(2-cyclohexyloxyethyl)pentanamide (CID 55259925) is 2-carbamothioyl-N-(2-cyclohexyloxyethyl)pentanamide.
What is the SMILES notation for 2-carbamothioyl-N-(2-cyclohexyloxyethyl)pentanamide?
The canonical SMILES for 2-carbamothioyl-N-(2-cyclohexyloxyethyl)pentanamide is CCCC(C(=O)NCCOC1CCCCC1)C(N)=S.
What is the InChIKey of 2-carbamothioyl-N-(2-cyclohexyloxyethyl)pentanamide?
The InChIKey is MDGUVRKHKLRXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2S/c1-2-6-12(13(15)19)14(17)16-9-10-18-11-7-4-3-5-8-11/h11-12H,2-10H2,1H3,(H2,15,19)(H,16,17).
What are the key properties of 2-carbamothioyl-N-(2-cyclohexyloxyethyl)pentanamide?
2-carbamothioyl-N-(2-cyclohexyloxyethyl)pentanamide has a molecular weight of 286.44 g/mol, XLogP of 2.15, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamothioyl-N-(2-cyclohexyloxyethyl)pentanamide is sourced from PubChem (CID 55259925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).