2-methyl-2-(2-methylpropylsulfanylcarbothioylsulfanyl)-N-propan-2-ylpropanamide

C12H23NOS3 — CID 101393638

IUPAC2-methyl-2-(2-methylpropylsulfanylcarbothioylsulfanyl)-N-propan-2-ylpropanamide
SMILESCC(C)CSC(=S)SC(C)(C)C(=O)NC(C)C
InChIInChI=1S/C12H23NOS3/c1-8(2)7-16-11(15)17-12(5,6)10(14)13-9(3)4/h8-9H,7H2,1-6H3,(H,13,14)
InChIKeyZYPDOBVJZLMSOQ-UHFFFAOYSA-N
MW293.52 g/mol
LogP3.70
Rot. Bonds5

About 2-methyl-2-(2-methylpropylsulfanylcarbothioylsulfanyl)-N-propan-2-ylpropanamide

2-methyl-2-(2-methylpropylsulfanylcarbothioylsulfanyl)-N-propan-2-ylpropanamide (PubChem CID 101393638) has the molecular formula C12H23NOS3 and a molecular weight of 293.52 g/mol. Its IUPAC name is 2-methyl-2-(2-methylpropylsulfanylcarbothioylsulfanyl)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-methyl-2-(2-methylpropylsulfanylcarbothioylsulfanyl)-N-propan-2-ylpropanamide
PubChem CID101393638
Molecular FormulaC12H23NOS3
Molecular Weight293.52 g/mol
Exact Mass293.09
IUPAC Name2-methyl-2-(2-methylpropylsulfanylcarbothioylsulfanyl)-N-propan-2-ylpropanamide
SMILESCC(C)CSC(=S)SC(C)(C)C(=O)NC(C)C
InChIInChI=1S/C12H23NOS3/c1-8(2)7-16-11(15)17-12(5,6)10(14)13-9(3)4/h8-9H,7H2,1-6H3,(H,13,14)
InChIKeyZYPDOBVJZLMSOQ-UHFFFAOYSA-N
XLogP3.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.52
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-methyl-2-(2-methylpropylsulfanylcarbothioylsulfanyl)propanoyl]oxyethoxy]ethyl 2-methyl-2-(2-methylpropylsulfanylcarbothioylsulfanyl)propanoate
CID 102404772
2,2-difluoro-N-propan-2-ylpropanamide
CID 130495307
2,2,4-trimethyl-N-propan-2-ylpentanamide
CID 126707660
2,2-dimethyl-N,N'-di(propan-2-yl)propanediamide
CID 108957169
(2R)-3-acetylsulfanyl-2-[[2-methyl-2-(2-methylpropanoyloxymethoxycarbonylsulfanyl)propanoyl]amino]propanoic acid
CID 134483128
3-methyl-3-(2,4,4-trimethylpentylsulfanylcarbothioylsulfanyl)butanoic acid
CID 123193850
2-methyl-2-(methylamino)-N-propan-2-ylpropanamide
CID 62835801
methyl 2-methylpropylsulfanylformate
CID 178163148
2-methyl-N-propan-2-yl-2-sulfanylbutanamide
CID 176964784
2-methyl-2-(3-methylbutoxy)-N-propan-2-ylpropanamide
CID 155301439
2-methylpropylsulfanylmethanedithioic acid
CID 15919791
2,2-dimethyl-4-oxo-N-propan-2-ylbutanamide
CID 141082926

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2-methylpropylsulfanylcarbothioylsulfanyl)-N-propan-2-ylpropanamide?
The IUPAC name of 2-methyl-2-(2-methylpropylsulfanylcarbothioylsulfanyl)-N-propan-2-ylpropanamide (CID 101393638) is 2-methyl-2-(2-methylpropylsulfanylcarbothioylsulfanyl)-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-methyl-2-(2-methylpropylsulfanylcarbothioylsulfanyl)-N-propan-2-ylpropanamide?
The canonical SMILES for 2-methyl-2-(2-methylpropylsulfanylcarbothioylsulfanyl)-N-propan-2-ylpropanamide is CC(C)CSC(=S)SC(C)(C)C(=O)NC(C)C.
What is the InChIKey of 2-methyl-2-(2-methylpropylsulfanylcarbothioylsulfanyl)-N-propan-2-ylpropanamide?
The InChIKey is ZYPDOBVJZLMSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NOS3/c1-8(2)7-16-11(15)17-12(5,6)10(14)13-9(3)4/h8-9H,7H2,1-6H3,(H,13,14).
What are the key properties of 2-methyl-2-(2-methylpropylsulfanylcarbothioylsulfanyl)-N-propan-2-ylpropanamide?
2-methyl-2-(2-methylpropylsulfanylcarbothioylsulfanyl)-N-propan-2-ylpropanamide has a molecular weight of 293.52 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2-methylpropylsulfanylcarbothioylsulfanyl)-N-propan-2-ylpropanamide is sourced from PubChem (CID 101393638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).