2-ethyl-2-methyl-4-methylsulfonylbutan-1-amine

C8H19NO2S — CID 62724307

IUPAC2-ethyl-2-methyl-4-methylsulfonylbutan-1-amine
SMILESCCC(C)(CN)CCS(C)(=O)=O
InChIInChI=1S/C8H19NO2S/c1-4-8(2,7-9)5-6-12(3,10)11/h4-7,9H2,1-3H3
InChIKeyKZDABPINVPPXSR-UHFFFAOYSA-N
MW193.31 g/mol
LogP0.80
Rot. Bonds5

About 2-ethyl-2-methyl-4-methylsulfonylbutan-1-amine

2-ethyl-2-methyl-4-methylsulfonylbutan-1-amine (PubChem CID 62724307) has the molecular formula C8H19NO2S and a molecular weight of 193.31 g/mol. Its IUPAC name is 2-ethyl-2-methyl-4-methylsulfonylbutan-1-amine.

Molecular Properties

Compound Name2-ethyl-2-methyl-4-methylsulfonylbutan-1-amine
PubChem CID62724307
Molecular FormulaC8H19NO2S
Molecular Weight193.31 g/mol
Exact Mass193.11
IUPAC Name2-ethyl-2-methyl-4-methylsulfonylbutan-1-amine
SMILESCCC(C)(CN)CCS(C)(=O)=O
InChIInChI=1S/C8H19NO2S/c1-4-8(2,7-9)5-6-12(3,10)11/h4-7,9H2,1-3H3
InChIKeyKZDABPINVPPXSR-UHFFFAOYSA-N
XLogP0.80
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methyl-4-methylsulfonylbutan-1-amine?
The IUPAC name of 2-ethyl-2-methyl-4-methylsulfonylbutan-1-amine (CID 62724307) is 2-ethyl-2-methyl-4-methylsulfonylbutan-1-amine.
What is the SMILES notation for 2-ethyl-2-methyl-4-methylsulfonylbutan-1-amine?
The canonical SMILES for 2-ethyl-2-methyl-4-methylsulfonylbutan-1-amine is CCC(C)(CN)CCS(C)(=O)=O.
What is the InChIKey of 2-ethyl-2-methyl-4-methylsulfonylbutan-1-amine?
The InChIKey is KZDABPINVPPXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2S/c1-4-8(2,7-9)5-6-12(3,10)11/h4-7,9H2,1-3H3.
What are the key properties of 2-ethyl-2-methyl-4-methylsulfonylbutan-1-amine?
2-ethyl-2-methyl-4-methylsulfonylbutan-1-amine has a molecular weight of 193.31 g/mol, XLogP of 0.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methyl-4-methylsulfonylbutan-1-amine is sourced from PubChem (CID 62724307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).