2-methyl-N-(2-methyl-1-sulfanylpropan-2-yl)-3-sulfanylpropanamide

C8H17NOS2 — CID 23104768

IUPAC2-methyl-N-(2-methyl-1-sulfanylpropan-2-yl)-3-sulfanylpropanamide
SMILESCC(CS)C(=O)NC(C)(C)CS
InChIInChI=1S/C8H17NOS2/c1-6(4-11)7(10)9-8(2,3)5-12/h6,11-12H,4-5H2,1-3H3,(H,9,10)
InChIKeyQPOQUTOOLCAEIH-UHFFFAOYSA-N
MW207.36 g/mol
LogP1.38
Rot. Bonds4

About 2-methyl-N-(2-methyl-1-sulfanylpropan-2-yl)-3-sulfanylpropanamide

2-methyl-N-(2-methyl-1-sulfanylpropan-2-yl)-3-sulfanylpropanamide (PubChem CID 23104768) has the molecular formula C8H17NOS2 and a molecular weight of 207.36 g/mol. Its IUPAC name is 2-methyl-N-(2-methyl-1-sulfanylpropan-2-yl)-3-sulfanylpropanamide.

Molecular Properties

Compound Name2-methyl-N-(2-methyl-1-sulfanylpropan-2-yl)-3-sulfanylpropanamide
PubChem CID23104768
Molecular FormulaC8H17NOS2
Molecular Weight207.36 g/mol
Exact Mass207.08
IUPAC Name2-methyl-N-(2-methyl-1-sulfanylpropan-2-yl)-3-sulfanylpropanamide
SMILESCC(CS)C(=O)NC(C)(C)CS
InChIInChI=1S/C8H17NOS2/c1-6(4-11)7(10)9-8(2,3)5-12/h6,11-12H,4-5H2,1-3H3,(H,9,10)
InChIKeyQPOQUTOOLCAEIH-UHFFFAOYSA-N
XLogP1.38
TPSA29.10 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

CID 14292941
CID 14292941
CID 17979811
CID 17979811
CID 21822484
CID 21822484
CID 23104694
CID 23104694
CID 23104699
CID 23104699
CID 23104711
CID 23104711
CID 23104729
CID 23104729
CID 23104736
CID 23104736
CID 23104747
CID 23104747
CID 23104770
CID 23104770
CID 23104789
CID 23104789
CID 57752883
CID 57752883

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methyl-1-sulfanylpropan-2-yl)-3-sulfanylpropanamide?
The IUPAC name of 2-methyl-N-(2-methyl-1-sulfanylpropan-2-yl)-3-sulfanylpropanamide (CID 23104768) is 2-methyl-N-(2-methyl-1-sulfanylpropan-2-yl)-3-sulfanylpropanamide.
What is the SMILES notation for 2-methyl-N-(2-methyl-1-sulfanylpropan-2-yl)-3-sulfanylpropanamide?
The canonical SMILES for 2-methyl-N-(2-methyl-1-sulfanylpropan-2-yl)-3-sulfanylpropanamide is CC(CS)C(=O)NC(C)(C)CS.
What is the InChIKey of 2-methyl-N-(2-methyl-1-sulfanylpropan-2-yl)-3-sulfanylpropanamide?
The InChIKey is QPOQUTOOLCAEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NOS2/c1-6(4-11)7(10)9-8(2,3)5-12/h6,11-12H,4-5H2,1-3H3,(H,9,10).
What are the key properties of 2-methyl-N-(2-methyl-1-sulfanylpropan-2-yl)-3-sulfanylpropanamide?
2-methyl-N-(2-methyl-1-sulfanylpropan-2-yl)-3-sulfanylpropanamide has a molecular weight of 207.36 g/mol, XLogP of 1.38, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methyl-1-sulfanylpropan-2-yl)-3-sulfanylpropanamide is sourced from PubChem (CID 23104768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).