1-tert-butylsulfanyl-N-ethylpentan-2-amine

C11H25NS — CID 64613643

IUPAC1-tert-butylsulfanyl-N-ethylpentan-2-amine
SMILESCCCC(CSC(C)(C)C)NCC
InChIInChI=1S/C11H25NS/c1-6-8-10(12-7-2)9-13-11(3,4)5/h10,12H,6-9H2,1-5H3
InChIKeyWFNPNEMWGLJLIH-UHFFFAOYSA-N
MW203.39 g/mol
LogP3.30
Rot. Bonds6

About 1-tert-butylsulfanyl-N-ethylpentan-2-amine

1-tert-butylsulfanyl-N-ethylpentan-2-amine (PubChem CID 64613643) has the molecular formula C11H25NS and a molecular weight of 203.39 g/mol. Its IUPAC name is 1-tert-butylsulfanyl-N-ethylpentan-2-amine.

Molecular Properties

Compound Name1-tert-butylsulfanyl-N-ethylpentan-2-amine
PubChem CID64613643
Molecular FormulaC11H25NS
Molecular Weight203.39 g/mol
Exact Mass203.17
IUPAC Name1-tert-butylsulfanyl-N-ethylpentan-2-amine
SMILESCCCC(CSC(C)(C)C)NCC
InChIInChI=1S/C11H25NS/c1-6-8-10(12-7-2)9-13-11(3,4)5/h10,12H,6-9H2,1-5H3
InChIKeyWFNPNEMWGLJLIH-UHFFFAOYSA-N
XLogP3.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.39
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butylsulfanyl-N-ethylpentan-2-amine?
The IUPAC name of 1-tert-butylsulfanyl-N-ethylpentan-2-amine (CID 64613643) is 1-tert-butylsulfanyl-N-ethylpentan-2-amine.
What is the SMILES notation for 1-tert-butylsulfanyl-N-ethylpentan-2-amine?
The canonical SMILES for 1-tert-butylsulfanyl-N-ethylpentan-2-amine is CCCC(CSC(C)(C)C)NCC.
What is the InChIKey of 1-tert-butylsulfanyl-N-ethylpentan-2-amine?
The InChIKey is WFNPNEMWGLJLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NS/c1-6-8-10(12-7-2)9-13-11(3,4)5/h10,12H,6-9H2,1-5H3.
What are the key properties of 1-tert-butylsulfanyl-N-ethylpentan-2-amine?
1-tert-butylsulfanyl-N-ethylpentan-2-amine has a molecular weight of 203.39 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylsulfanyl-N-ethylpentan-2-amine is sourced from PubChem (CID 64613643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).