2,2-dimethyl-4-methylsulfonylpentan-3-amine

C8H19NO2S — CID 102551001

IUPAC2,2-dimethyl-4-methylsulfonylpentan-3-amine
SMILESCC(C(N)C(C)(C)C)S(C)(=O)=O
InChIInChI=1S/C8H19NO2S/c1-6(12(5,10)11)7(9)8(2,3)4/h6-7H,9H2,1-5H3
InChIKeyNGTWJDXWICVFSN-UHFFFAOYSA-N
MW193.31 g/mol
LogP0.79
Rot. Bonds2

About 2,2-dimethyl-4-methylsulfonylpentan-3-amine

2,2-dimethyl-4-methylsulfonylpentan-3-amine (PubChem CID 102551001) has the molecular formula C8H19NO2S and a molecular weight of 193.31 g/mol. Its IUPAC name is 2,2-dimethyl-4-methylsulfonylpentan-3-amine.

Molecular Properties

Compound Name2,2-dimethyl-4-methylsulfonylpentan-3-amine
PubChem CID102551001
Molecular FormulaC8H19NO2S
Molecular Weight193.31 g/mol
Exact Mass193.11
IUPAC Name2,2-dimethyl-4-methylsulfonylpentan-3-amine
SMILESCC(C(N)C(C)(C)C)S(C)(=O)=O
InChIInChI=1S/C8H19NO2S/c1-6(12(5,10)11)7(9)8(2,3)4/h6-7H,9H2,1-5H3
InChIKeyNGTWJDXWICVFSN-UHFFFAOYSA-N
XLogP0.79
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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 2,2-dimethyl-4-methylsulfonylpentan-3-amine?
The IUPAC name of 2,2-dimethyl-4-methylsulfonylpentan-3-amine (CID 102551001) is 2,2-dimethyl-4-methylsulfonylpentan-3-amine.
What is the SMILES notation for 2,2-dimethyl-4-methylsulfonylpentan-3-amine?
The canonical SMILES for 2,2-dimethyl-4-methylsulfonylpentan-3-amine is CC(C(N)C(C)(C)C)S(C)(=O)=O.
What is the InChIKey of 2,2-dimethyl-4-methylsulfonylpentan-3-amine?
The InChIKey is NGTWJDXWICVFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2S/c1-6(12(5,10)11)7(9)8(2,3)4/h6-7H,9H2,1-5H3.
What are the key properties of 2,2-dimethyl-4-methylsulfonylpentan-3-amine?
2,2-dimethyl-4-methylsulfonylpentan-3-amine has a molecular weight of 193.31 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-methylsulfonylpentan-3-amine is sourced from PubChem (CID 102551001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).