N,3-dimethyl-N-(2-methylsulfonylethyl)butan-1-amine

C9H21NO2S — CID 20811859

IUPACN,3-dimethyl-N-(2-methylsulfonylethyl)butan-1-amine
SMILESCC(C)CCN(C)CCS(C)(=O)=O
InChIInChI=1S/C9H21NO2S/c1-9(2)5-6-10(3)7-8-13(4,11)12/h9H,5-8H2,1-4H3
InChIKeySCACQYVOLILDKX-UHFFFAOYSA-N
MW207.34 g/mol
LogP1.01
Rot. Bonds6

About N,3-dimethyl-N-(2-methylsulfonylethyl)butan-1-amine

N,3-dimethyl-N-(2-methylsulfonylethyl)butan-1-amine (PubChem CID 20811859) has the molecular formula C9H21NO2S and a molecular weight of 207.34 g/mol. Its IUPAC name is N,3-dimethyl-N-(2-methylsulfonylethyl)butan-1-amine.

Molecular Properties

Compound NameN,3-dimethyl-N-(2-methylsulfonylethyl)butan-1-amine
PubChem CID20811859
Molecular FormulaC9H21NO2S
Molecular Weight207.34 g/mol
Exact Mass207.13
IUPAC NameN,3-dimethyl-N-(2-methylsulfonylethyl)butan-1-amine
SMILESCC(C)CCN(C)CCS(C)(=O)=O
InChIInChI=1S/C9H21NO2S/c1-9(2)5-6-10(3)7-8-13(4,11)12/h9H,5-8H2,1-4H3
InChIKeySCACQYVOLILDKX-UHFFFAOYSA-N
XLogP1.01
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-(2-methylsulfonylethyl)butan-1-amine?
The IUPAC name of N,3-dimethyl-N-(2-methylsulfonylethyl)butan-1-amine (CID 20811859) is N,3-dimethyl-N-(2-methylsulfonylethyl)butan-1-amine.
What is the SMILES notation for N,3-dimethyl-N-(2-methylsulfonylethyl)butan-1-amine?
The canonical SMILES for N,3-dimethyl-N-(2-methylsulfonylethyl)butan-1-amine is CC(C)CCN(C)CCS(C)(=O)=O.
What is the InChIKey of N,3-dimethyl-N-(2-methylsulfonylethyl)butan-1-amine?
The InChIKey is SCACQYVOLILDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2S/c1-9(2)5-6-10(3)7-8-13(4,11)12/h9H,5-8H2,1-4H3.
What are the key properties of N,3-dimethyl-N-(2-methylsulfonylethyl)butan-1-amine?
N,3-dimethyl-N-(2-methylsulfonylethyl)butan-1-amine has a molecular weight of 207.34 g/mol, XLogP of 1.01, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-(2-methylsulfonylethyl)butan-1-amine is sourced from PubChem (CID 20811859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).