2-methyl-N-[(2R)-3-methyl-1-sulfanylbutan-2-yl]-2-sulfanylpropanamide

C9H19NOS2 — CID 165173028

IUPAC2-methyl-N-[(2R)-3-methyl-1-sulfanylbutan-2-yl]-2-sulfanylpropanamide
SMILESCC(C)[C@H](CS)NC(=O)C(C)(C)S
InChIInChI=1S/C9H19NOS2/c1-6(2)7(5-12)10-8(11)9(3,4)13/h6-7,12-13H,5H2,1-4H3,(H,10,11)/t7-/m0/s1
InChIKeyJXMBOJUQDSUZPX-ZETCQYMHSA-N
MW221.39 g/mol
LogP1.77
Rot. Bonds4

About 2-methyl-N-[(2R)-3-methyl-1-sulfanylbutan-2-yl]-2-sulfanylpropanamide

2-methyl-N-[(2R)-3-methyl-1-sulfanylbutan-2-yl]-2-sulfanylpropanamide (PubChem CID 165173028) has the molecular formula C9H19NOS2 and a molecular weight of 221.39 g/mol. Its IUPAC name is 2-methyl-N-[(2R)-3-methyl-1-sulfanylbutan-2-yl]-2-sulfanylpropanamide.

Molecular Properties

Compound Name2-methyl-N-[(2R)-3-methyl-1-sulfanylbutan-2-yl]-2-sulfanylpropanamide
PubChem CID165173028
Molecular FormulaC9H19NOS2
Molecular Weight221.39 g/mol
Exact Mass221.09
IUPAC Name2-methyl-N-[(2R)-3-methyl-1-sulfanylbutan-2-yl]-2-sulfanylpropanamide
SMILESCC(C)[C@H](CS)NC(=O)C(C)(C)S
InChIInChI=1S/C9H19NOS2/c1-6(2)7(5-12)10-8(11)9(3,4)13/h6-7,12-13H,5H2,1-4H3,(H,10,11)/t7-/m0/s1
InChIKeyJXMBOJUQDSUZPX-ZETCQYMHSA-N
XLogP1.77
TPSA29.10 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 51.77
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 2-methyl-N-[(2R)-3-methyl-1-sulfanylbutan-2-yl]-2-sulfanylpropanamide?
The IUPAC name of 2-methyl-N-[(2R)-3-methyl-1-sulfanylbutan-2-yl]-2-sulfanylpropanamide (CID 165173028) is 2-methyl-N-[(2R)-3-methyl-1-sulfanylbutan-2-yl]-2-sulfanylpropanamide.
What is the SMILES notation for 2-methyl-N-[(2R)-3-methyl-1-sulfanylbutan-2-yl]-2-sulfanylpropanamide?
The canonical SMILES for 2-methyl-N-[(2R)-3-methyl-1-sulfanylbutan-2-yl]-2-sulfanylpropanamide is CC(C)[C@H](CS)NC(=O)C(C)(C)S.
What is the InChIKey of 2-methyl-N-[(2R)-3-methyl-1-sulfanylbutan-2-yl]-2-sulfanylpropanamide?
The InChIKey is JXMBOJUQDSUZPX-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H19NOS2/c1-6(2)7(5-12)10-8(11)9(3,4)13/h6-7,12-13H,5H2,1-4H3,(H,10,11)/t7-/m0/s1.
What are the key properties of 2-methyl-N-[(2R)-3-methyl-1-sulfanylbutan-2-yl]-2-sulfanylpropanamide?
2-methyl-N-[(2R)-3-methyl-1-sulfanylbutan-2-yl]-2-sulfanylpropanamide has a molecular weight of 221.39 g/mol, XLogP of 1.77, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2R)-3-methyl-1-sulfanylbutan-2-yl]-2-sulfanylpropanamide is sourced from PubChem (CID 165173028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).