2-carbamothioyl-N-decyl-2-methylbutanamide

C16H32N2OS — CID 114292426

IUPAC2-carbamothioyl-N-decyl-2-methylbutanamide
SMILESCCCCCCCCCCNC(=O)C(C)(CC)C(N)=S
InChIInChI=1S/C16H32N2OS/c1-4-6-7-8-9-10-11-12-13-18-15(19)16(3,5-2)14(17)20/h4-13H2,1-3H3,(H2,17,20)(H,18,19)
InChIKeySSCCBBBYTWSWSV-UHFFFAOYSA-N
MW300.51 g/mol
LogP3.95
Rot. Bonds12

About 2-carbamothioyl-N-decyl-2-methylbutanamide

2-carbamothioyl-N-decyl-2-methylbutanamide (PubChem CID 114292426) has the molecular formula C16H32N2OS and a molecular weight of 300.51 g/mol. Its IUPAC name is 2-carbamothioyl-N-decyl-2-methylbutanamide.

Molecular Properties

Compound Name2-carbamothioyl-N-decyl-2-methylbutanamide
PubChem CID114292426
Molecular FormulaC16H32N2OS
Molecular Weight300.51 g/mol
Exact Mass300.22
IUPAC Name2-carbamothioyl-N-decyl-2-methylbutanamide
SMILESCCCCCCCCCCNC(=O)C(C)(CC)C(N)=S
InChIInChI=1S/C16H32N2OS/c1-4-6-7-8-9-10-11-12-13-18-15(19)16(3,5-2)14(17)20/h4-13H2,1-3H3,(H2,17,20)(H,18,19)
InChIKeySSCCBBBYTWSWSV-UHFFFAOYSA-N
XLogP3.95
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.51
LogP ≤ 53.95
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

N-[2-(2-amino-2-oxoethoxy)ethyl]-2-carbamothioyl-2-methylbutanamide
CID 106237122
2-carbamothioyl-2-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]butanamide
CID 106035423
2-carbamothioyl-N-heptan-2-yl-2-methylbutanamide
CID 113270547
2,2-dimethyl-N-tetradecylpropanamide
CID 11220230
2-amino-2-ethyl-N-hexylbutanamide
CID 79810029
2-carbamothioyl-N-[2-(2-methoxyethoxy)ethyl]-2-methylbutanamide
CID 113270602
2-carbamothioyl-N-(2-cyclopentylethyl)-2-methylbutanamide
CID 113270525
3-hydroxy-2,2-dimethyl-N-pentylpropanamide
CID 171795881
2,2,4,4-tetramethyl-N-octylhexanamide
CID 178052018
2-carbamothioyl-N-[2-(dimethylamino)-2-oxoethyl]-2-methylbutanamide
CID 114291927
2-carbamothioyl-N-[3-(cyclopropylamino)-3-oxopropyl]-2-methylbutanamide
CID 114292411
2-(ethylamino)-2-methyl-N-octylpropanamide
CID 113337256

Frequently Asked Questions

What is the IUPAC name of 2-carbamothioyl-N-decyl-2-methylbutanamide?
The IUPAC name of 2-carbamothioyl-N-decyl-2-methylbutanamide (CID 114292426) is 2-carbamothioyl-N-decyl-2-methylbutanamide.
What is the SMILES notation for 2-carbamothioyl-N-decyl-2-methylbutanamide?
The canonical SMILES for 2-carbamothioyl-N-decyl-2-methylbutanamide is CCCCCCCCCCNC(=O)C(C)(CC)C(N)=S.
What is the InChIKey of 2-carbamothioyl-N-decyl-2-methylbutanamide?
The InChIKey is SSCCBBBYTWSWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2OS/c1-4-6-7-8-9-10-11-12-13-18-15(19)16(3,5-2)14(17)20/h4-13H2,1-3H3,(H2,17,20)(H,18,19).
What are the key properties of 2-carbamothioyl-N-decyl-2-methylbutanamide?
2-carbamothioyl-N-decyl-2-methylbutanamide has a molecular weight of 300.51 g/mol, XLogP of 3.95, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamothioyl-N-decyl-2-methylbutanamide is sourced from PubChem (CID 114292426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).