2-ethyl-N,2-dimethyl-4-methylsulfonylbutan-1-amine

C9H21NO2S — CID 62724468

IUPAC2-ethyl-N,2-dimethyl-4-methylsulfonylbutan-1-amine
SMILESCCC(C)(CCS(C)(=O)=O)CNC
InChIInChI=1S/C9H21NO2S/c1-5-9(2,8-10-3)6-7-13(4,11)12/h10H,5-8H2,1-4H3
InChIKeyNMHUCOAMQLWFBO-UHFFFAOYSA-N
MW207.34 g/mol
LogP1.06
Rot. Bonds6

About 2-ethyl-N,2-dimethyl-4-methylsulfonylbutan-1-amine

2-ethyl-N,2-dimethyl-4-methylsulfonylbutan-1-amine (PubChem CID 62724468) has the molecular formula C9H21NO2S and a molecular weight of 207.34 g/mol. Its IUPAC name is 2-ethyl-N,2-dimethyl-4-methylsulfonylbutan-1-amine.

Molecular Properties

Compound Name2-ethyl-N,2-dimethyl-4-methylsulfonylbutan-1-amine
PubChem CID62724468
Molecular FormulaC9H21NO2S
Molecular Weight207.34 g/mol
Exact Mass207.13
IUPAC Name2-ethyl-N,2-dimethyl-4-methylsulfonylbutan-1-amine
SMILESCCC(C)(CCS(C)(=O)=O)CNC
InChIInChI=1S/C9H21NO2S/c1-5-9(2,8-10-3)6-7-13(4,11)12/h10H,5-8H2,1-4H3
InChIKeyNMHUCOAMQLWFBO-UHFFFAOYSA-N
XLogP1.06
TPSA46.17 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 ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N,2-dimethyl-4-methylsulfonylbutan-1-amine?
The IUPAC name of 2-ethyl-N,2-dimethyl-4-methylsulfonylbutan-1-amine (CID 62724468) is 2-ethyl-N,2-dimethyl-4-methylsulfonylbutan-1-amine.
What is the SMILES notation for 2-ethyl-N,2-dimethyl-4-methylsulfonylbutan-1-amine?
The canonical SMILES for 2-ethyl-N,2-dimethyl-4-methylsulfonylbutan-1-amine is CCC(C)(CCS(C)(=O)=O)CNC.
What is the InChIKey of 2-ethyl-N,2-dimethyl-4-methylsulfonylbutan-1-amine?
The InChIKey is NMHUCOAMQLWFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2S/c1-5-9(2,8-10-3)6-7-13(4,11)12/h10H,5-8H2,1-4H3.
What are the key properties of 2-ethyl-N,2-dimethyl-4-methylsulfonylbutan-1-amine?
2-ethyl-N,2-dimethyl-4-methylsulfonylbutan-1-amine has a molecular weight of 207.34 g/mol, XLogP of 1.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N,2-dimethyl-4-methylsulfonylbutan-1-amine is sourced from PubChem (CID 62724468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).