2-carbamothioyl-N-[2-(cyclopropylmethoxy)ethyl]-2-ethylbutanamide

C13H24N2O2S — CID 114098052

IUPAC2-carbamothioyl-N-[2-(cyclopropylmethoxy)ethyl]-2-ethylbutanamide
SMILESCCC(CC)(C(=O)NCCOCC1CC1)C(N)=S
InChIInChI=1S/C13H24N2O2S/c1-3-13(4-2,11(14)18)12(16)15-7-8-17-9-10-5-6-10/h10H,3-9H2,1-2H3,(H2,14,18)(H,15,16)
InChIKeyVYUMWCDHHVNVOS-UHFFFAOYSA-N
MW272.41 g/mol
LogP1.62
Rot. Bonds9

About 2-carbamothioyl-N-[2-(cyclopropylmethoxy)ethyl]-2-ethylbutanamide

2-carbamothioyl-N-[2-(cyclopropylmethoxy)ethyl]-2-ethylbutanamide (PubChem CID 114098052) has the molecular formula C13H24N2O2S and a molecular weight of 272.41 g/mol. Its IUPAC name is 2-carbamothioyl-N-[2-(cyclopropylmethoxy)ethyl]-2-ethylbutanamide.

Molecular Properties

Compound Name2-carbamothioyl-N-[2-(cyclopropylmethoxy)ethyl]-2-ethylbutanamide
PubChem CID114098052
Molecular FormulaC13H24N2O2S
Molecular Weight272.41 g/mol
Exact Mass272.16
IUPAC Name2-carbamothioyl-N-[2-(cyclopropylmethoxy)ethyl]-2-ethylbutanamide
SMILESCCC(CC)(C(=O)NCCOCC1CC1)C(N)=S
InChIInChI=1S/C13H24N2O2S/c1-3-13(4-2,11(14)18)12(16)15-7-8-17-9-10-5-6-10/h10H,3-9H2,1-2H3,(H2,14,18)(H,15,16)
InChIKeyVYUMWCDHHVNVOS-UHFFFAOYSA-N
XLogP1.62
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 51.62
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

3-amino-N-[2-(cyclopropylmethoxy)ethyl]-2,2-dimethylpropanamide
CID 103809924
3-amino-N-[3-(cyclopropylmethoxy)propyl]-2,2-dimethyl-3-sulfanylidenepropanamide
CID 114098055
2-carbamothioyl-N-[2-(2,2-difluoroethoxy)ethyl]-2-ethylbutanamide
CID 114127743
2-amino-N-[2-(cyclopropylmethoxy)ethyl]butanediamide
CID 103827564
(2S,3S)-2-amino-N-[2-(cyclopropylmethoxy)ethyl]-3-methylpentanamide
CID 103833000
2-carbamothioyl-2-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentanamide
CID 63828492
2-carbamothioyl-2-ethyl-N-(3-methylsulfanylpropyl)butanamide
CID 63960224
N-(2-ethoxyethyl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76920697
2-carbamothioyl-2-ethyl-N-(5-methylhexyl)butanamide
CID 115325676
4-amino-N-[2-(cyclopropylmethoxy)ethyl]cyclohexane-1-carboxamide
CID 103795970
N-[2-(2-amino-2-oxoethoxy)ethyl]-2-carbamothioyl-2-methylbutanamide
CID 106237122
2-carbamothioyl-N-[2-(2-methoxyethoxy)ethyl]-2-methylbutanamide
CID 113270602

Frequently Asked Questions

What is the IUPAC name of 2-carbamothioyl-N-[2-(cyclopropylmethoxy)ethyl]-2-ethylbutanamide?
The IUPAC name of 2-carbamothioyl-N-[2-(cyclopropylmethoxy)ethyl]-2-ethylbutanamide (CID 114098052) is 2-carbamothioyl-N-[2-(cyclopropylmethoxy)ethyl]-2-ethylbutanamide.
What is the SMILES notation for 2-carbamothioyl-N-[2-(cyclopropylmethoxy)ethyl]-2-ethylbutanamide?
The canonical SMILES for 2-carbamothioyl-N-[2-(cyclopropylmethoxy)ethyl]-2-ethylbutanamide is CCC(CC)(C(=O)NCCOCC1CC1)C(N)=S.
What is the InChIKey of 2-carbamothioyl-N-[2-(cyclopropylmethoxy)ethyl]-2-ethylbutanamide?
The InChIKey is VYUMWCDHHVNVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2S/c1-3-13(4-2,11(14)18)12(16)15-7-8-17-9-10-5-6-10/h10H,3-9H2,1-2H3,(H2,14,18)(H,15,16).
What are the key properties of 2-carbamothioyl-N-[2-(cyclopropylmethoxy)ethyl]-2-ethylbutanamide?
2-carbamothioyl-N-[2-(cyclopropylmethoxy)ethyl]-2-ethylbutanamide has a molecular weight of 272.41 g/mol, XLogP of 1.62, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamothioyl-N-[2-(cyclopropylmethoxy)ethyl]-2-ethylbutanamide is sourced from PubChem (CID 114098052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).