2-methyl-N-propan-2-ylsulfonothioylpropanamide

C7H15NO2S2 — CID 135195626

IUPAC2-methyl-N-propan-2-ylsulfonothioylpropanamide
SMILESCC(C)C(=O)NS(=O)(=S)C(C)C
InChIInChI=1S/C7H15NO2S2/c1-5(2)7(9)8-12(10,11)6(3)4/h5-6H,1-4H3,(H,8,9)
InChIKeyHSSNOPSQQMKQTC-UHFFFAOYSA-N
MW209.34 g/mol
LogP0.83
Rot. Bonds3

About 2-methyl-N-propan-2-ylsulfonothioylpropanamide

2-methyl-N-propan-2-ylsulfonothioylpropanamide (PubChem CID 135195626) has the molecular formula C7H15NO2S2 and a molecular weight of 209.34 g/mol. Its IUPAC name is 2-methyl-N-propan-2-ylsulfonothioylpropanamide.

Molecular Properties

Compound Name2-methyl-N-propan-2-ylsulfonothioylpropanamide
PubChem CID135195626
Molecular FormulaC7H15NO2S2
Molecular Weight209.34 g/mol
Exact Mass209.05
IUPAC Name2-methyl-N-propan-2-ylsulfonothioylpropanamide
SMILESCC(C)C(=O)NS(=O)(=S)C(C)C
InChIInChI=1S/C7H15NO2S2/c1-5(2)7(9)8-12(10,11)6(3)4/h5-6H,1-4H3,(H,8,9)
InChIKeyHSSNOPSQQMKQTC-UHFFFAOYSA-N
XLogP0.83
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-propan-2-ylsulfonothioylpropanamide?
The IUPAC name of 2-methyl-N-propan-2-ylsulfonothioylpropanamide (CID 135195626) is 2-methyl-N-propan-2-ylsulfonothioylpropanamide.
What is the SMILES notation for 2-methyl-N-propan-2-ylsulfonothioylpropanamide?
The canonical SMILES for 2-methyl-N-propan-2-ylsulfonothioylpropanamide is CC(C)C(=O)NS(=O)(=S)C(C)C.
What is the InChIKey of 2-methyl-N-propan-2-ylsulfonothioylpropanamide?
The InChIKey is HSSNOPSQQMKQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S2/c1-5(2)7(9)8-12(10,11)6(3)4/h5-6H,1-4H3,(H,8,9).
What are the key properties of 2-methyl-N-propan-2-ylsulfonothioylpropanamide?
2-methyl-N-propan-2-ylsulfonothioylpropanamide has a molecular weight of 209.34 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-propan-2-ylsulfonothioylpropanamide is sourced from PubChem (CID 135195626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).