2-carbamothioyl-N-(4-methylpentyl)-2-propylpentanamide

C15H30N2OS — CID 63004557

IUPAC2-carbamothioyl-N-(4-methylpentyl)-2-propylpentanamide
SMILESCCCC(CCC)(C(=O)NCCCC(C)C)C(N)=S
InChIInChI=1S/C15H30N2OS/c1-5-9-15(10-6-2,13(16)19)14(18)17-11-7-8-12(3)4/h12H,5-11H2,1-4H3,(H2,16,19)(H,17,18)
InChIKeyCGGGMGVNHFAGEC-UHFFFAOYSA-N
MW286.48 g/mol
LogP3.41
Rot. Bonds10

About 2-carbamothioyl-N-(4-methylpentyl)-2-propylpentanamide

2-carbamothioyl-N-(4-methylpentyl)-2-propylpentanamide (PubChem CID 63004557) has the molecular formula C15H30N2OS and a molecular weight of 286.48 g/mol. Its IUPAC name is 2-carbamothioyl-N-(4-methylpentyl)-2-propylpentanamide.

Molecular Properties

Compound Name2-carbamothioyl-N-(4-methylpentyl)-2-propylpentanamide
PubChem CID63004557
Molecular FormulaC15H30N2OS
Molecular Weight286.48 g/mol
Exact Mass286.21
IUPAC Name2-carbamothioyl-N-(4-methylpentyl)-2-propylpentanamide
SMILESCCCC(CCC)(C(=O)NCCCC(C)C)C(N)=S
InChIInChI=1S/C15H30N2OS/c1-5-9-15(10-6-2,13(16)19)14(18)17-11-7-8-12(3)4/h12H,5-11H2,1-4H3,(H2,16,19)(H,17,18)
InChIKeyCGGGMGVNHFAGEC-UHFFFAOYSA-N
XLogP3.41
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.48
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

2-carbamothioyl-2-ethyl-N-(5-methylhexyl)butanamide
CID 115325676
2-carbamothioyl-2-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentanamide
CID 63828492
3-amino-2-methyl-N-(4-methylpentyl)-3-sulfanylidenepropanamide
CID 63004736
2-hydroxy-2-methyl-N-(4-methylpentyl)propanamide
CID 104936584
N-butyl-2,2,5-trimethylhexanamide
CID 145422242
2-carbamothioyl-2-ethyl-N-(3-methylsulfanylpropyl)butanamide
CID 63960224
2-carbamothioyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-propylpentanamide
CID 103007055
N-(4-methylpentyl)propanamide
CID 54140551
2-carbamothioyl-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-propylpentanamide
CID 105418004
2-hydroxy-2-methyl-N-(5-methylhexyl)propanamide
CID 103430276
3-amino-2,2,3-trimethyl-N-(7-methyloctyl)butanamide
CID 65269830
2-cyano-2-methyl-N-(4-methylpentyl)butanamide
CID 114291478

Frequently Asked Questions

What is the IUPAC name of 2-carbamothioyl-N-(4-methylpentyl)-2-propylpentanamide?
The IUPAC name of 2-carbamothioyl-N-(4-methylpentyl)-2-propylpentanamide (CID 63004557) is 2-carbamothioyl-N-(4-methylpentyl)-2-propylpentanamide.
What is the SMILES notation for 2-carbamothioyl-N-(4-methylpentyl)-2-propylpentanamide?
The canonical SMILES for 2-carbamothioyl-N-(4-methylpentyl)-2-propylpentanamide is CCCC(CCC)(C(=O)NCCCC(C)C)C(N)=S.
What is the InChIKey of 2-carbamothioyl-N-(4-methylpentyl)-2-propylpentanamide?
The InChIKey is CGGGMGVNHFAGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2OS/c1-5-9-15(10-6-2,13(16)19)14(18)17-11-7-8-12(3)4/h12H,5-11H2,1-4H3,(H2,16,19)(H,17,18).
What are the key properties of 2-carbamothioyl-N-(4-methylpentyl)-2-propylpentanamide?
2-carbamothioyl-N-(4-methylpentyl)-2-propylpentanamide has a molecular weight of 286.48 g/mol, XLogP of 3.41, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamothioyl-N-(4-methylpentyl)-2-propylpentanamide is sourced from PubChem (CID 63004557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).