2-ethyl-4-ethylsulfonyl-2-methylbutan-1-amine

C9H21NO2S — CID 62724308

IUPAC2-ethyl-4-ethylsulfonyl-2-methylbutan-1-amine
SMILESCCC(C)(CN)CCS(=O)(=O)CC
InChIInChI=1S/C9H21NO2S/c1-4-9(3,8-10)6-7-13(11,12)5-2/h4-8,10H2,1-3H3
InChIKeyZSCYZPOHYCRQIE-UHFFFAOYSA-N
MW207.34 g/mol
LogP1.19
Rot. Bonds6

About 2-ethyl-4-ethylsulfonyl-2-methylbutan-1-amine

2-ethyl-4-ethylsulfonyl-2-methylbutan-1-amine (PubChem CID 62724308) has the molecular formula C9H21NO2S and a molecular weight of 207.34 g/mol. Its IUPAC name is 2-ethyl-4-ethylsulfonyl-2-methylbutan-1-amine.

Molecular Properties

Compound Name2-ethyl-4-ethylsulfonyl-2-methylbutan-1-amine
PubChem CID62724308
Molecular FormulaC9H21NO2S
Molecular Weight207.34 g/mol
Exact Mass207.13
IUPAC Name2-ethyl-4-ethylsulfonyl-2-methylbutan-1-amine
SMILESCCC(C)(CN)CCS(=O)(=O)CC
InChIInChI=1S/C9H21NO2S/c1-4-9(3,8-10)6-7-13(11,12)5-2/h4-8,10H2,1-3H3
InChIKeyZSCYZPOHYCRQIE-UHFFFAOYSA-N
XLogP1.19
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-ethylsulfonyl-2-methylbutan-1-amine?
The IUPAC name of 2-ethyl-4-ethylsulfonyl-2-methylbutan-1-amine (CID 62724308) is 2-ethyl-4-ethylsulfonyl-2-methylbutan-1-amine.
What is the SMILES notation for 2-ethyl-4-ethylsulfonyl-2-methylbutan-1-amine?
The canonical SMILES for 2-ethyl-4-ethylsulfonyl-2-methylbutan-1-amine is CCC(C)(CN)CCS(=O)(=O)CC.
What is the InChIKey of 2-ethyl-4-ethylsulfonyl-2-methylbutan-1-amine?
The InChIKey is ZSCYZPOHYCRQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2S/c1-4-9(3,8-10)6-7-13(11,12)5-2/h4-8,10H2,1-3H3.
What are the key properties of 2-ethyl-4-ethylsulfonyl-2-methylbutan-1-amine?
2-ethyl-4-ethylsulfonyl-2-methylbutan-1-amine has a molecular weight of 207.34 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-ethylsulfonyl-2-methylbutan-1-amine is sourced from PubChem (CID 62724308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).