N-(2-methyl-1-sulfanylpropan-2-yl)-2-sulfanylbutanamide

C8H17NOS2 — CID 86074623

IUPACN-(2-methyl-1-sulfanylpropan-2-yl)-2-sulfanylbutanamide
SMILESCCC(S)C(=O)NC(C)(C)CS
InChIInChI=1S/C8H17NOS2/c1-4-6(12)7(10)9-8(2,3)5-11/h6,11-12H,4-5H2,1-3H3,(H,9,10)
InChIKeyUZCLFIUNFKOAGK-UHFFFAOYSA-N
MW207.36 g/mol
LogP1.52
Rot. Bonds4

About N-(2-methyl-1-sulfanylpropan-2-yl)-2-sulfanylbutanamide

N-(2-methyl-1-sulfanylpropan-2-yl)-2-sulfanylbutanamide (PubChem CID 86074623) has the molecular formula C8H17NOS2 and a molecular weight of 207.36 g/mol. Its IUPAC name is N-(2-methyl-1-sulfanylpropan-2-yl)-2-sulfanylbutanamide.

Molecular Properties

Compound NameN-(2-methyl-1-sulfanylpropan-2-yl)-2-sulfanylbutanamide
PubChem CID86074623
Molecular FormulaC8H17NOS2
Molecular Weight207.36 g/mol
Exact Mass207.08
IUPAC NameN-(2-methyl-1-sulfanylpropan-2-yl)-2-sulfanylbutanamide
SMILESCCC(S)C(=O)NC(C)(C)CS
InChIInChI=1S/C8H17NOS2/c1-4-6(12)7(10)9-8(2,3)5-11/h6,11-12H,4-5H2,1-3H3,(H,9,10)
InChIKeyUZCLFIUNFKOAGK-UHFFFAOYSA-N
XLogP1.52
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 ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1-sulfanylpropan-2-yl)-2-sulfanylbutanamide?
The IUPAC name of N-(2-methyl-1-sulfanylpropan-2-yl)-2-sulfanylbutanamide (CID 86074623) is N-(2-methyl-1-sulfanylpropan-2-yl)-2-sulfanylbutanamide.
What is the SMILES notation for N-(2-methyl-1-sulfanylpropan-2-yl)-2-sulfanylbutanamide?
The canonical SMILES for N-(2-methyl-1-sulfanylpropan-2-yl)-2-sulfanylbutanamide is CCC(S)C(=O)NC(C)(C)CS.
What is the InChIKey of N-(2-methyl-1-sulfanylpropan-2-yl)-2-sulfanylbutanamide?
The InChIKey is UZCLFIUNFKOAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NOS2/c1-4-6(12)7(10)9-8(2,3)5-11/h6,11-12H,4-5H2,1-3H3,(H,9,10).
What are the key properties of N-(2-methyl-1-sulfanylpropan-2-yl)-2-sulfanylbutanamide?
N-(2-methyl-1-sulfanylpropan-2-yl)-2-sulfanylbutanamide has a molecular weight of 207.36 g/mol, XLogP of 1.52, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1-sulfanylpropan-2-yl)-2-sulfanylbutanamide is sourced from PubChem (CID 86074623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).