2-carbamothioyl-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-2-methylbutanamide

C14H26N2O2S — CID 114292133

IUPAC2-carbamothioyl-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-2-methylbutanamide
SMILESCCC(C)(C(=O)N(CCOC)C(C)C1CC1)C(N)=S
InChIInChI=1S/C14H26N2O2S/c1-5-14(3,12(15)19)13(17)16(8-9-18-4)10(2)11-6-7-11/h10-11H,5-9H2,1-4H3,(H2,15,19)
InChIKeySDSFXFQVZMTWAV-UHFFFAOYSA-N
MW286.44 g/mol
LogP1.96
Rot. Bonds8

About 2-carbamothioyl-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-2-methylbutanamide

2-carbamothioyl-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-2-methylbutanamide (PubChem CID 114292133) has the molecular formula C14H26N2O2S and a molecular weight of 286.44 g/mol. Its IUPAC name is 2-carbamothioyl-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-2-methylbutanamide.

Molecular Properties

Compound Name2-carbamothioyl-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-2-methylbutanamide
PubChem CID114292133
Molecular FormulaC14H26N2O2S
Molecular Weight286.44 g/mol
Exact Mass286.17
IUPAC Name2-carbamothioyl-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-2-methylbutanamide
SMILESCCC(C)(C(=O)N(CCOC)C(C)C1CC1)C(N)=S
InChIInChI=1S/C14H26N2O2S/c1-5-14(3,12(15)19)13(17)16(8-9-18-4)10(2)11-6-7-11/h10-11H,5-9H2,1-4H3,(H2,15,19)
InChIKeySDSFXFQVZMTWAV-UHFFFAOYSA-N
XLogP1.96
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-carbamothioyl-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-2-methylbutanamide?
The IUPAC name of 2-carbamothioyl-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-2-methylbutanamide (CID 114292133) is 2-carbamothioyl-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-2-methylbutanamide.
What is the SMILES notation for 2-carbamothioyl-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-2-methylbutanamide?
The canonical SMILES for 2-carbamothioyl-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-2-methylbutanamide is CCC(C)(C(=O)N(CCOC)C(C)C1CC1)C(N)=S.
What is the InChIKey of 2-carbamothioyl-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-2-methylbutanamide?
The InChIKey is SDSFXFQVZMTWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2S/c1-5-14(3,12(15)19)13(17)16(8-9-18-4)10(2)11-6-7-11/h10-11H,5-9H2,1-4H3,(H2,15,19).
What are the key properties of 2-carbamothioyl-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-2-methylbutanamide?
2-carbamothioyl-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-2-methylbutanamide has a molecular weight of 286.44 g/mol, XLogP of 1.96, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamothioyl-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-2-methylbutanamide is sourced from PubChem (CID 114292133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).