2-methyl-N-(2-methyl-1-sulfanyloxypropan-2-yl)butanamide

C9H19NO2S — CID 123819756

IUPAC2-methyl-N-(2-methyl-1-sulfanyloxypropan-2-yl)butanamide
SMILESCCC(C)C(=O)NC(C)(C)COS
InChIInChI=1S/C9H19NO2S/c1-5-7(2)8(11)10-9(3,4)6-12-13/h7,13H,5-6H2,1-4H3,(H,10,11)
InChIKeyJGLBKUKMWYNJSK-UHFFFAOYSA-N
MW205.32 g/mol
LogP1.79
Rot. Bonds5

About 2-methyl-N-(2-methyl-1-sulfanyloxypropan-2-yl)butanamide

2-methyl-N-(2-methyl-1-sulfanyloxypropan-2-yl)butanamide (PubChem CID 123819756) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is 2-methyl-N-(2-methyl-1-sulfanyloxypropan-2-yl)butanamide.

Molecular Properties

Compound Name2-methyl-N-(2-methyl-1-sulfanyloxypropan-2-yl)butanamide
PubChem CID123819756
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Name2-methyl-N-(2-methyl-1-sulfanyloxypropan-2-yl)butanamide
SMILESCCC(C)C(=O)NC(C)(C)COS
InChIInChI=1S/C9H19NO2S/c1-5-7(2)8(11)10-9(3,4)6-12-13/h7,13H,5-6H2,1-4H3,(H,10,11)
InChIKeyJGLBKUKMWYNJSK-UHFFFAOYSA-N
XLogP1.79
TPSA38.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methane;2-methyl-2-(2-methylbutanoylamino)propane-1-sulfonate
CID 158726603
(4R)-2-ethyl-4-methyl-N,N'-bis(2-methylbutan-2-yl)pentanediamide
CID 90141607
methyl 2-methylbutanoate;1,1,1-trifluoroethane
CID 91439197
2-methyl-2-(2-methylbutanoylamino)pentanoic acid
CID 43618557
3-(ethylamino)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-methylpropanamide
CID 106188154
3-methyl-3-(2-methylbutanoylamino)pentanoic acid
CID 84589310
2-methyl-N-(3,5,5-trimethylheptan-3-yl)butanamide
CID 174243287
CID 58122074
CID 58122074
(2S)-N-[(2R,3S)-2-hydroxy-3-methylpentyl]-2-methylbutanamide
CID 97227824
2,2,3-trimethyl-3-(2-methylpentanoylamino)butanoic acid
CID 65261594
(2S)-2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-3-methylpentanamide
CID 61173516
ethane;N-ethyl-2-methylbutanamide
CID 145471862

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methyl-1-sulfanyloxypropan-2-yl)butanamide?
The IUPAC name of 2-methyl-N-(2-methyl-1-sulfanyloxypropan-2-yl)butanamide (CID 123819756) is 2-methyl-N-(2-methyl-1-sulfanyloxypropan-2-yl)butanamide.
What is the SMILES notation for 2-methyl-N-(2-methyl-1-sulfanyloxypropan-2-yl)butanamide?
The canonical SMILES for 2-methyl-N-(2-methyl-1-sulfanyloxypropan-2-yl)butanamide is CCC(C)C(=O)NC(C)(C)COS.
What is the InChIKey of 2-methyl-N-(2-methyl-1-sulfanyloxypropan-2-yl)butanamide?
The InChIKey is JGLBKUKMWYNJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-5-7(2)8(11)10-9(3,4)6-12-13/h7,13H,5-6H2,1-4H3,(H,10,11).
What are the key properties of 2-methyl-N-(2-methyl-1-sulfanyloxypropan-2-yl)butanamide?
2-methyl-N-(2-methyl-1-sulfanyloxypropan-2-yl)butanamide has a molecular weight of 205.32 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methyl-1-sulfanyloxypropan-2-yl)butanamide is sourced from PubChem (CID 123819756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).