3-butan-2-ylsulfanyl-N,N-dimethylpropanamide

C9H19NOS — CID 20764788

IUPAC3-butan-2-ylsulfanyl-N,N-dimethylpropanamide
SMILESCCC(C)SCCC(=O)N(C)C
InChIInChI=1S/C9H19NOS/c1-5-8(2)12-7-6-9(11)10(3)4/h8H,5-7H2,1-4H3
InChIKeyKCQMASSDHCTYOY-UHFFFAOYSA-N
MW189.32 g/mol
LogP2.00
Rot. Bonds5

About 3-butan-2-ylsulfanyl-N,N-dimethylpropanamide

3-butan-2-ylsulfanyl-N,N-dimethylpropanamide (PubChem CID 20764788) has the molecular formula C9H19NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is 3-butan-2-ylsulfanyl-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-butan-2-ylsulfanyl-N,N-dimethylpropanamide
PubChem CID20764788
Molecular FormulaC9H19NOS
Molecular Weight189.32 g/mol
Exact Mass189.12
IUPAC Name3-butan-2-ylsulfanyl-N,N-dimethylpropanamide
SMILESCCC(C)SCCC(=O)N(C)C
InChIInChI=1S/C9H19NOS/c1-5-8(2)12-7-6-9(11)10(3)4/h8H,5-7H2,1-4H3
InChIKeyKCQMASSDHCTYOY-UHFFFAOYSA-N
XLogP2.00
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-butan-2-ylsulfanyl-N,N-dimethylpropanamide?
The IUPAC name of 3-butan-2-ylsulfanyl-N,N-dimethylpropanamide (CID 20764788) is 3-butan-2-ylsulfanyl-N,N-dimethylpropanamide.
What is the SMILES notation for 3-butan-2-ylsulfanyl-N,N-dimethylpropanamide?
The canonical SMILES for 3-butan-2-ylsulfanyl-N,N-dimethylpropanamide is CCC(C)SCCC(=O)N(C)C.
What is the InChIKey of 3-butan-2-ylsulfanyl-N,N-dimethylpropanamide?
The InChIKey is KCQMASSDHCTYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NOS/c1-5-8(2)12-7-6-9(11)10(3)4/h8H,5-7H2,1-4H3.
What are the key properties of 3-butan-2-ylsulfanyl-N,N-dimethylpropanamide?
3-butan-2-ylsulfanyl-N,N-dimethylpropanamide has a molecular weight of 189.32 g/mol, XLogP of 2.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-ylsulfanyl-N,N-dimethylpropanamide is sourced from PubChem (CID 20764788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).