1-butyl-3-(nonanoylamino)thiourea

C14H29N3OS — CID 11196965

IUPAC1-butyl-3-(nonanoylamino)thiourea
SMILESCCCCCCCCC(=O)NNC(=S)NCCCC
InChIInChI=1S/C14H29N3OS/c1-3-5-7-8-9-10-11-13(18)16-17-14(19)15-12-6-4-2/h3-12H2,1-2H3,(H,16,18)(H2,15,17,19)
InChIKeyVUCQQWPXCGNSGZ-UHFFFAOYSA-N
MW287.47 g/mol
LogP3.03
Rot. Bonds10

About 1-butyl-3-(nonanoylamino)thiourea

1-butyl-3-(nonanoylamino)thiourea (PubChem CID 11196965) has the molecular formula C14H29N3OS and a molecular weight of 287.47 g/mol. Its IUPAC name is 1-butyl-3-(nonanoylamino)thiourea.

Molecular Properties

Compound Name1-butyl-3-(nonanoylamino)thiourea
PubChem CID11196965
Molecular FormulaC14H29N3OS
Molecular Weight287.47 g/mol
Exact Mass287.20
IUPAC Name1-butyl-3-(nonanoylamino)thiourea
SMILESCCCCCCCCC(=O)NNC(=S)NCCCC
InChIInChI=1S/C14H29N3OS/c1-3-5-7-8-9-10-11-13(18)16-17-14(19)15-12-6-4-2/h3-12H2,1-2H3,(H,16,18)(H2,15,17,19)
InChIKeyVUCQQWPXCGNSGZ-UHFFFAOYSA-N
XLogP3.03
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.47
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-butyl-3-(nonanoylamino)thiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(cyclohexylcarbonyl)-N-ethylhydrazinecarbothioamide
CID 2133292
N-ethyl-2-[(4-pentylcyclohexyl)carbonyl]-1-hydrazinecarbothioamide
CID 3767066
Hexanoic acid (N'-propionyl-hydrazinocarbothioyl)-amide
CID 3138375
2-(3-cyclohexylpropanoyl)-N-methylhydrazinecarbothioamide
CID 3289692
4-Methyl-1-stearoylthiosemicarbazide
CID 4189426
N-[(2-acetylhydrazino)carbothioyl]hexanamide
CID 3138374
1-Decyl-3-[[5-[2-(decylcarbamothioyl)hydrazinyl]-5-oxopentanoyl]amino]thiourea
CID 3294928
1-Heptyl-3-[[5-[2-(heptylcarbamothioyl)hydrazinyl]-5-oxopentanoyl]amino]thiourea
CID 5212468
2-butanoyl-N-propylhydrazinecarbothioamide
CID 17372093
N-butyl-2-heptanoylhydrazinecarboxamide
CID 17381534
2-acetyl-2-methyl-N-octylhydrazinecarbothioamide
CID 91692328
2-methyl-N-octyl-2-propanoylhydrazinecarbothioamide
CID 91692329

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-(nonanoylamino)thiourea?
The IUPAC name of 1-butyl-3-(nonanoylamino)thiourea (CID 11196965) is 1-butyl-3-(nonanoylamino)thiourea.
What is the SMILES notation for 1-butyl-3-(nonanoylamino)thiourea?
The canonical SMILES for 1-butyl-3-(nonanoylamino)thiourea is CCCCCCCCC(=O)NNC(=S)NCCCC.
What is the InChIKey of 1-butyl-3-(nonanoylamino)thiourea?
The InChIKey is VUCQQWPXCGNSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3OS/c1-3-5-7-8-9-10-11-13(18)16-17-14(19)15-12-6-4-2/h3-12H2,1-2H3,(H,16,18)(H2,15,17,19).
What are the key properties of 1-butyl-3-(nonanoylamino)thiourea?
1-butyl-3-(nonanoylamino)thiourea has a molecular weight of 287.47 g/mol, XLogP of 3.03, 10 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-(nonanoylamino)thiourea is sourced from PubChem (CID 11196965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).