4,4-dimethyl-1-methylsulfonylpentan-3-amine

C8H19NO2S — CID 62599920

IUPAC4,4-dimethyl-1-methylsulfonylpentan-3-amine
SMILESCC(C)(C)C(N)CCS(C)(=O)=O
InChIInChI=1S/C8H19NO2S/c1-8(2,3)7(9)5-6-12(4,10)11/h7H,5-6,9H2,1-4H3
InChIKeyDXTHIJAOCWEYJK-UHFFFAOYSA-N
MW193.31 g/mol
LogP0.79
Rot. Bonds3

About 4,4-dimethyl-1-methylsulfonylpentan-3-amine

4,4-dimethyl-1-methylsulfonylpentan-3-amine (PubChem CID 62599920) has the molecular formula C8H19NO2S and a molecular weight of 193.31 g/mol. Its IUPAC name is 4,4-dimethyl-1-methylsulfonylpentan-3-amine.

Molecular Properties

Compound Name4,4-dimethyl-1-methylsulfonylpentan-3-amine
PubChem CID62599920
Molecular FormulaC8H19NO2S
Molecular Weight193.31 g/mol
Exact Mass193.11
IUPAC Name4,4-dimethyl-1-methylsulfonylpentan-3-amine
SMILESCC(C)(C)C(N)CCS(C)(=O)=O
InChIInChI=1S/C8H19NO2S/c1-8(2,3)7(9)5-6-12(4,10)11/h7H,5-6,9H2,1-4H3
InChIKeyDXTHIJAOCWEYJK-UHFFFAOYSA-N
XLogP0.79
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-methylsulfonylpentan-3-amine?
The IUPAC name of 4,4-dimethyl-1-methylsulfonylpentan-3-amine (CID 62599920) is 4,4-dimethyl-1-methylsulfonylpentan-3-amine.
What is the SMILES notation for 4,4-dimethyl-1-methylsulfonylpentan-3-amine?
The canonical SMILES for 4,4-dimethyl-1-methylsulfonylpentan-3-amine is CC(C)(C)C(N)CCS(C)(=O)=O.
What is the InChIKey of 4,4-dimethyl-1-methylsulfonylpentan-3-amine?
The InChIKey is DXTHIJAOCWEYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2S/c1-8(2,3)7(9)5-6-12(4,10)11/h7H,5-6,9H2,1-4H3.
What are the key properties of 4,4-dimethyl-1-methylsulfonylpentan-3-amine?
4,4-dimethyl-1-methylsulfonylpentan-3-amine has a molecular weight of 193.31 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-methylsulfonylpentan-3-amine is sourced from PubChem (CID 62599920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).