N-butyl-2-carbamothioyl-N-cyclopropyl-2-methylbutanamide

C13H24N2OS — CID 114292035

IUPACN-butyl-2-carbamothioyl-N-cyclopropyl-2-methylbutanamide
SMILESCCCCN(C(=O)C(C)(CC)C(N)=S)C1CC1
InChIInChI=1S/C13H24N2OS/c1-4-6-9-15(10-7-8-10)12(16)13(3,5-2)11(14)17/h10H,4-9H2,1-3H3,(H2,14,17)
InChIKeyUTSDLBMELKLFRO-UHFFFAOYSA-N
MW256.41 g/mol
LogP2.48
Rot. Bonds7

About N-butyl-2-carbamothioyl-N-cyclopropyl-2-methylbutanamide

N-butyl-2-carbamothioyl-N-cyclopropyl-2-methylbutanamide (PubChem CID 114292035) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is N-butyl-2-carbamothioyl-N-cyclopropyl-2-methylbutanamide.

Molecular Properties

Compound NameN-butyl-2-carbamothioyl-N-cyclopropyl-2-methylbutanamide
PubChem CID114292035
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC NameN-butyl-2-carbamothioyl-N-cyclopropyl-2-methylbutanamide
SMILESCCCCN(C(=O)C(C)(CC)C(N)=S)C1CC1
InChIInChI=1S/C13H24N2OS/c1-4-6-9-15(10-7-8-10)12(16)13(3,5-2)11(14)17/h10H,4-9H2,1-3H3,(H2,14,17)
InChIKeyUTSDLBMELKLFRO-UHFFFAOYSA-N
XLogP2.48
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-cyano-N-cyclopropyl-2-methylbutanamide
CID 114291231
2-carbamothioyl-2-methyl-N-pentyl-N-propan-2-ylbutanamide
CID 114292127
2-carbamothioyl-N,2-dimethyl-N-(oxan-4-yl)butanamide
CID 113270518
2-carbamothioyl-N-[3-(dimethylamino)propyl]-N,2-dimethylbutanamide
CID 114292308
2-carbamothioyl-N-(2-hydroxyethyl)-N,2-dimethylbutanamide
CID 114291986
tert-butyl N-butyl-N-cyclopropylcarbamate
CID 63788161
2-carbamothioyl-N-ethyl-N-(2-hydroxyethyl)-2-methylbutanamide
CID 114291987
2-amino-N-butyl-N-cyclopropyl-3-methylbutanamide
CID 60944592
1-butyl-1,3-dicyclopropylurea
CID 115579407
3-amino-N-butyl-N-cyclopropylpropanamide
CID 60944847
2-(aminomethyl)-N-cyclobutyl-N-(3-hydroxypropyl)-2-methylbutanamide
CID 102861246
2-carbamothioyl-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-2-methylbutanamide
CID 114292133

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-carbamothioyl-N-cyclopropyl-2-methylbutanamide?
The IUPAC name of N-butyl-2-carbamothioyl-N-cyclopropyl-2-methylbutanamide (CID 114292035) is N-butyl-2-carbamothioyl-N-cyclopropyl-2-methylbutanamide.
What is the SMILES notation for N-butyl-2-carbamothioyl-N-cyclopropyl-2-methylbutanamide?
The canonical SMILES for N-butyl-2-carbamothioyl-N-cyclopropyl-2-methylbutanamide is CCCCN(C(=O)C(C)(CC)C(N)=S)C1CC1.
What is the InChIKey of N-butyl-2-carbamothioyl-N-cyclopropyl-2-methylbutanamide?
The InChIKey is UTSDLBMELKLFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-4-6-9-15(10-7-8-10)12(16)13(3,5-2)11(14)17/h10H,4-9H2,1-3H3,(H2,14,17).
What are the key properties of N-butyl-2-carbamothioyl-N-cyclopropyl-2-methylbutanamide?
N-butyl-2-carbamothioyl-N-cyclopropyl-2-methylbutanamide has a molecular weight of 256.41 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-carbamothioyl-N-cyclopropyl-2-methylbutanamide is sourced from PubChem (CID 114292035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).