2,2-dimethyl-N-(1-methylsulfinylbutan-2-yl)propanamide

C10H21NO2S — CID 166778271

IUPAC2,2-dimethyl-N-(1-methylsulfinylbutan-2-yl)propanamide
SMILESCCC(CS(C)=O)NC(=O)C(C)(C)C
InChIInChI=1S/C10H21NO2S/c1-6-8(7-14(5)13)11-9(12)10(2,3)4/h8H,6-7H2,1-5H3,(H,11,12)
InChIKeyKKOPGUHPPZHEJO-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.31
Rot. Bonds4

About 2,2-dimethyl-N-(1-methylsulfinylbutan-2-yl)propanamide

2,2-dimethyl-N-(1-methylsulfinylbutan-2-yl)propanamide (PubChem CID 166778271) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is 2,2-dimethyl-N-(1-methylsulfinylbutan-2-yl)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(1-methylsulfinylbutan-2-yl)propanamide
PubChem CID166778271
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Name2,2-dimethyl-N-(1-methylsulfinylbutan-2-yl)propanamide
SMILESCCC(CS(C)=O)NC(=O)C(C)(C)C
InChIInChI=1S/C10H21NO2S/c1-6-8(7-14(5)13)11-9(12)10(2,3)4/h8H,6-7H2,1-5H3,(H,11,12)
InChIKeyKKOPGUHPPZHEJO-UHFFFAOYSA-N
XLogP1.31
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(1-methylsulfinylbutan-2-yl)propanamide?
The IUPAC name of 2,2-dimethyl-N-(1-methylsulfinylbutan-2-yl)propanamide (CID 166778271) is 2,2-dimethyl-N-(1-methylsulfinylbutan-2-yl)propanamide.
What is the SMILES notation for 2,2-dimethyl-N-(1-methylsulfinylbutan-2-yl)propanamide?
The canonical SMILES for 2,2-dimethyl-N-(1-methylsulfinylbutan-2-yl)propanamide is CCC(CS(C)=O)NC(=O)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-N-(1-methylsulfinylbutan-2-yl)propanamide?
The InChIKey is KKOPGUHPPZHEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-6-8(7-14(5)13)11-9(12)10(2,3)4/h8H,6-7H2,1-5H3,(H,11,12).
What are the key properties of 2,2-dimethyl-N-(1-methylsulfinylbutan-2-yl)propanamide?
2,2-dimethyl-N-(1-methylsulfinylbutan-2-yl)propanamide has a molecular weight of 219.35 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(1-methylsulfinylbutan-2-yl)propanamide is sourced from PubChem (CID 166778271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).