2,2-dimethyl-N-(2-methylsulfanylpropan-2-yl)propanamide

C9H19NOS — CID 166808852

IUPAC2,2-dimethyl-N-(2-methylsulfanylpropan-2-yl)propanamide
SMILESCSC(C)(C)NC(=O)C(C)(C)C
InChIInChI=1S/C9H19NOS/c1-8(2,3)7(11)10-9(4,5)12-6/h1-6H3,(H,10,11)
InChIKeyMRVVVWKOUWIXKI-UHFFFAOYSA-N
MW189.32 g/mol
LogP2.25
Rot. Bonds2

About 2,2-dimethyl-N-(2-methylsulfanylpropan-2-yl)propanamide

2,2-dimethyl-N-(2-methylsulfanylpropan-2-yl)propanamide (PubChem CID 166808852) has the molecular formula C9H19NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is 2,2-dimethyl-N-(2-methylsulfanylpropan-2-yl)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(2-methylsulfanylpropan-2-yl)propanamide
PubChem CID166808852
Molecular FormulaC9H19NOS
Molecular Weight189.32 g/mol
Exact Mass189.12
IUPAC Name2,2-dimethyl-N-(2-methylsulfanylpropan-2-yl)propanamide
SMILESCSC(C)(C)NC(=O)C(C)(C)C
InChIInChI=1S/C9H19NOS/c1-8(2,3)7(11)10-9(4,5)12-6/h1-6H3,(H,10,11)
InChIKeyMRVVVWKOUWIXKI-UHFFFAOYSA-N
XLogP2.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-N-(2,3,3,4-tetramethylpentan-2-yl)propanamide
CID 166894562
N-(tert-butylcarbamoyl)-2,2-dimethylpropanamide
CID 58200215
2,2-dimethyl-N-prop-1-en-2-ylpropanamide
CID 89153386
2,2-dimethyl-N-(2-methylpropanoyl)propanamide
CID 130010818
N-(chlorocarbamoyl)-2,2-dimethylpropanamide
CID 130011017
N-(2-cyclopenta-2,4-dien-1-ylpropan-2-yl)-2,2-dimethylpropanamide
CID 10856679
2-(2,2-dimethylpropanoylamino)-N,2-dimethylbutanamide
CID 88557657
N-[1-bromo-2-(bromomethyl)butan-2-yl]-2,2-dimethylpropanamide
CID 107867920
[2,2-dichloro-1-(2,2-dimethylpropanoylamino)ethenyl]phosphonic acid
CID 3239295
tert-butyl 2-(2-methylsulfanylpropan-2-ylamino)acetate
CID 146252161
2,2-dimethyl-N'-oxidopropanehydrazide
CID 88532549
CID 136820032
CID 136820032

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(2-methylsulfanylpropan-2-yl)propanamide?
The IUPAC name of 2,2-dimethyl-N-(2-methylsulfanylpropan-2-yl)propanamide (CID 166808852) is 2,2-dimethyl-N-(2-methylsulfanylpropan-2-yl)propanamide.
What is the SMILES notation for 2,2-dimethyl-N-(2-methylsulfanylpropan-2-yl)propanamide?
The canonical SMILES for 2,2-dimethyl-N-(2-methylsulfanylpropan-2-yl)propanamide is CSC(C)(C)NC(=O)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-N-(2-methylsulfanylpropan-2-yl)propanamide?
The InChIKey is MRVVVWKOUWIXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NOS/c1-8(2,3)7(11)10-9(4,5)12-6/h1-6H3,(H,10,11).
What are the key properties of 2,2-dimethyl-N-(2-methylsulfanylpropan-2-yl)propanamide?
2,2-dimethyl-N-(2-methylsulfanylpropan-2-yl)propanamide has a molecular weight of 189.32 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(2-methylsulfanylpropan-2-yl)propanamide is sourced from PubChem (CID 166808852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).