N-ethyl-4,4-dimethyl-1-methylsulfonylpentan-3-amine

C10H23NO2S — CID 62599846

IUPACN-ethyl-4,4-dimethyl-1-methylsulfonylpentan-3-amine
SMILESCCNC(CCS(C)(=O)=O)C(C)(C)C
InChIInChI=1S/C10H23NO2S/c1-6-11-9(10(2,3)4)7-8-14(5,12)13/h9,11H,6-8H2,1-5H3
InChIKeyRISYJBHCPLWKFC-UHFFFAOYSA-N
MW221.37 g/mol
LogP1.45
Rot. Bonds5

About N-ethyl-4,4-dimethyl-1-methylsulfonylpentan-3-amine

N-ethyl-4,4-dimethyl-1-methylsulfonylpentan-3-amine (PubChem CID 62599846) has the molecular formula C10H23NO2S and a molecular weight of 221.37 g/mol. Its IUPAC name is N-ethyl-4,4-dimethyl-1-methylsulfonylpentan-3-amine.

Molecular Properties

Compound NameN-ethyl-4,4-dimethyl-1-methylsulfonylpentan-3-amine
PubChem CID62599846
Molecular FormulaC10H23NO2S
Molecular Weight221.37 g/mol
Exact Mass221.14
IUPAC NameN-ethyl-4,4-dimethyl-1-methylsulfonylpentan-3-amine
SMILESCCNC(CCS(C)(=O)=O)C(C)(C)C
InChIInChI=1S/C10H23NO2S/c1-6-11-9(10(2,3)4)7-8-14(5,12)13/h9,11H,6-8H2,1-5H3
InChIKeyRISYJBHCPLWKFC-UHFFFAOYSA-N
XLogP1.45
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4,4-dimethyl-1-methylsulfonylpentan-3-amine?
The IUPAC name of N-ethyl-4,4-dimethyl-1-methylsulfonylpentan-3-amine (CID 62599846) is N-ethyl-4,4-dimethyl-1-methylsulfonylpentan-3-amine.
What is the SMILES notation for N-ethyl-4,4-dimethyl-1-methylsulfonylpentan-3-amine?
The canonical SMILES for N-ethyl-4,4-dimethyl-1-methylsulfonylpentan-3-amine is CCNC(CCS(C)(=O)=O)C(C)(C)C.
What is the InChIKey of N-ethyl-4,4-dimethyl-1-methylsulfonylpentan-3-amine?
The InChIKey is RISYJBHCPLWKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2S/c1-6-11-9(10(2,3)4)7-8-14(5,12)13/h9,11H,6-8H2,1-5H3.
What are the key properties of N-ethyl-4,4-dimethyl-1-methylsulfonylpentan-3-amine?
N-ethyl-4,4-dimethyl-1-methylsulfonylpentan-3-amine has a molecular weight of 221.37 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4,4-dimethyl-1-methylsulfonylpentan-3-amine is sourced from PubChem (CID 62599846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).