2-carbamothioyl-N-(2-propan-2-yloxyethyl)butanamide

C10H20N2O2S — CID 104761678

IUPAC2-carbamothioyl-N-(2-propan-2-yloxyethyl)butanamide
SMILESCCC(C(=O)NCCOC(C)C)C(N)=S
InChIInChI=1S/C10H20N2O2S/c1-4-8(9(11)15)10(13)12-5-6-14-7(2)3/h7-8H,4-6H2,1-3H3,(H2,11,15)(H,12,13)
InChIKeyGRDUPDLWILVHGO-UHFFFAOYSA-N
MW232.35 g/mol
LogP0.84
Rot. Bonds7

About 2-carbamothioyl-N-(2-propan-2-yloxyethyl)butanamide

2-carbamothioyl-N-(2-propan-2-yloxyethyl)butanamide (PubChem CID 104761678) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 2-carbamothioyl-N-(2-propan-2-yloxyethyl)butanamide.

Molecular Properties

Compound Name2-carbamothioyl-N-(2-propan-2-yloxyethyl)butanamide
PubChem CID104761678
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC Name2-carbamothioyl-N-(2-propan-2-yloxyethyl)butanamide
SMILESCCC(C(=O)NCCOC(C)C)C(N)=S
InChIInChI=1S/C10H20N2O2S/c1-4-8(9(11)15)10(13)12-5-6-14-7(2)3/h7-8H,4-6H2,1-3H3,(H2,11,15)(H,12,13)
InChIKeyGRDUPDLWILVHGO-UHFFFAOYSA-N
XLogP0.84
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 50.84
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

2-carbamothioyl-N-(2-propan-2-yloxyethyl)pentanamide
CID 104761692
2-propan-2-yloxyethylurea
CID 22179539
2-carbamothioyl-N-(2-methoxypropyl)butanamide
CID 102698233
2-(aminomethyl)-N-(2-propan-2-yloxyethyl)butanamide
CID 104759858
1-carbamothioyl-N-(2-propan-2-yloxyethyl)cyclopropane-1-carboxamide
CID 104761691
(2R)-2-amino-3-methyl-N-(2-propan-2-yloxyethyl)butanamide
CID 104761131
ethyl N-(2-propan-2-yloxyethyl)carbamate
CID 14496147
2-(2-propan-2-yloxyethylsulfamoyl)butanethioamide
CID 104761749
2-carbamothioyl-N-[2-(dimethylsulfamoyl)ethyl]butanamide
CID 106338828
1-amino-3-(2-propan-2-yloxyethyl)thiourea
CID 104762816
1-amino-N-(2-propan-2-yloxyethyl)cyclopropane-1-carboxamide
CID 104761182
2-carbamothioyl-N-[2-(1,3-thiazol-2-yl)ethyl]butanamide
CID 63240426

Frequently Asked Questions

What is the IUPAC name of 2-carbamothioyl-N-(2-propan-2-yloxyethyl)butanamide?
The IUPAC name of 2-carbamothioyl-N-(2-propan-2-yloxyethyl)butanamide (CID 104761678) is 2-carbamothioyl-N-(2-propan-2-yloxyethyl)butanamide.
What is the SMILES notation for 2-carbamothioyl-N-(2-propan-2-yloxyethyl)butanamide?
The canonical SMILES for 2-carbamothioyl-N-(2-propan-2-yloxyethyl)butanamide is CCC(C(=O)NCCOC(C)C)C(N)=S.
What is the InChIKey of 2-carbamothioyl-N-(2-propan-2-yloxyethyl)butanamide?
The InChIKey is GRDUPDLWILVHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-4-8(9(11)15)10(13)12-5-6-14-7(2)3/h7-8H,4-6H2,1-3H3,(H2,11,15)(H,12,13).
What are the key properties of 2-carbamothioyl-N-(2-propan-2-yloxyethyl)butanamide?
2-carbamothioyl-N-(2-propan-2-yloxyethyl)butanamide has a molecular weight of 232.35 g/mol, XLogP of 0.84, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamothioyl-N-(2-propan-2-yloxyethyl)butanamide is sourced from PubChem (CID 104761678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).