2-carbamothioyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)butanamide

C10H20N2OS2 — CID 112659658

IUPAC2-carbamothioyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)butanamide
SMILESCCC(C(=O)N(C)C(C)CSC)C(N)=S
InChIInChI=1S/C10H20N2OS2/c1-5-8(9(11)14)10(13)12(3)7(2)6-15-4/h7-8H,5-6H2,1-4H3,(H2,11,14)
InChIKeyMHAIHHVWOPSBKB-UHFFFAOYSA-N
MW248.42 g/mol
LogP1.51
Rot. Bonds6

About 2-carbamothioyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)butanamide

2-carbamothioyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)butanamide (PubChem CID 112659658) has the molecular formula C10H20N2OS2 and a molecular weight of 248.42 g/mol. Its IUPAC name is 2-carbamothioyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)butanamide.

Molecular Properties

Compound Name2-carbamothioyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)butanamide
PubChem CID112659658
Molecular FormulaC10H20N2OS2
Molecular Weight248.42 g/mol
Exact Mass248.10
IUPAC Name2-carbamothioyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)butanamide
SMILESCCC(C(=O)N(C)C(C)CSC)C(N)=S
InChIInChI=1S/C10H20N2OS2/c1-5-8(9(11)14)10(13)12(3)7(2)6-15-4/h7-8H,5-6H2,1-4H3,(H2,11,14)
InChIKeyMHAIHHVWOPSBKB-UHFFFAOYSA-N
XLogP1.51
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.42
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-carbamothioyl-N-(1-hydroxypropan-2-yl)-N-methylpentanamide
CID 104551991
N-methyl-N-(1-methylsulfanylpropan-2-yl)acetamide
CID 112692053
2-carbamothioyl-N-(2-hydroxy-2-methylpropyl)-N-methylbutanamide
CID 79378078
2-amino-N-methyl-N-(1-methylsulfanylpropan-2-yl)pent-4-ynamide
CID 112659346
ethyl 3,3-dimethyl-2-[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]butanoate
CID 116538257
4-carbamothioyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)oxane-4-carboxamide
CID 112659666
3-methyl-4-[[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]amino]butanoic acid
CID 112662992
(2S)-2-amino-N-methyl-N-(4-methylsulfanylbutan-2-yl)butanamide
CID 103797449
4-[methyl(1-methylsulfanylpropan-2-yl)amino]-4-oxobutanoic acid
CID 112555224
2-carbamothioyl-N,2-dimethyl-N-(1-methylsulfanylbutan-2-yl)butanamide
CID 112659636
2-carbamothioyl-N-cyclobutyl-N-(2-hydroxyethyl)butanamide
CID 102862520
2,2,2-trifluoroethyl N-methyl-N-(1-methylsulfanylpropan-2-yl)carbamate
CID 112692293

Frequently Asked Questions

What is the IUPAC name of 2-carbamothioyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)butanamide?
The IUPAC name of 2-carbamothioyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)butanamide (CID 112659658) is 2-carbamothioyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)butanamide.
What is the SMILES notation for 2-carbamothioyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)butanamide?
The canonical SMILES for 2-carbamothioyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)butanamide is CCC(C(=O)N(C)C(C)CSC)C(N)=S.
What is the InChIKey of 2-carbamothioyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)butanamide?
The InChIKey is MHAIHHVWOPSBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS2/c1-5-8(9(11)14)10(13)12(3)7(2)6-15-4/h7-8H,5-6H2,1-4H3,(H2,11,14).
What are the key properties of 2-carbamothioyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)butanamide?
2-carbamothioyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)butanamide has a molecular weight of 248.42 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamothioyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)butanamide is sourced from PubChem (CID 112659658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).