N-ethyl-3-(2-methylpropylsulfanyl)oxan-4-amine

C11H23NOS — CID 64612141

IUPACN-ethyl-3-(2-methylpropylsulfanyl)oxan-4-amine
SMILESCCNC1CCOCC1SCC(C)C
InChIInChI=1S/C11H23NOS/c1-4-12-10-5-6-13-7-11(10)14-8-9(2)3/h9-12H,4-8H2,1-3H3
InChIKeyKBUQQRCJVTWTHK-UHFFFAOYSA-N
MW217.38 g/mol
LogP2.14
Rot. Bonds5

About N-ethyl-3-(2-methylpropylsulfanyl)oxan-4-amine

N-ethyl-3-(2-methylpropylsulfanyl)oxan-4-amine (PubChem CID 64612141) has the molecular formula C11H23NOS and a molecular weight of 217.38 g/mol. Its IUPAC name is N-ethyl-3-(2-methylpropylsulfanyl)oxan-4-amine.

Molecular Properties

Compound NameN-ethyl-3-(2-methylpropylsulfanyl)oxan-4-amine
PubChem CID64612141
Molecular FormulaC11H23NOS
Molecular Weight217.38 g/mol
Exact Mass217.15
IUPAC NameN-ethyl-3-(2-methylpropylsulfanyl)oxan-4-amine
SMILESCCNC1CCOCC1SCC(C)C
InChIInChI=1S/C11H23NOS/c1-4-12-10-5-6-13-7-11(10)14-8-9(2)3/h9-12H,4-8H2,1-3H3
InChIKeyKBUQQRCJVTWTHK-UHFFFAOYSA-N
XLogP2.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.38
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(2-methylpropylsulfanyl)oxan-4-amine?
The IUPAC name of N-ethyl-3-(2-methylpropylsulfanyl)oxan-4-amine (CID 64612141) is N-ethyl-3-(2-methylpropylsulfanyl)oxan-4-amine.
What is the SMILES notation for N-ethyl-3-(2-methylpropylsulfanyl)oxan-4-amine?
The canonical SMILES for N-ethyl-3-(2-methylpropylsulfanyl)oxan-4-amine is CCNC1CCOCC1SCC(C)C.
What is the InChIKey of N-ethyl-3-(2-methylpropylsulfanyl)oxan-4-amine?
The InChIKey is KBUQQRCJVTWTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NOS/c1-4-12-10-5-6-13-7-11(10)14-8-9(2)3/h9-12H,4-8H2,1-3H3.
What are the key properties of N-ethyl-3-(2-methylpropylsulfanyl)oxan-4-amine?
N-ethyl-3-(2-methylpropylsulfanyl)oxan-4-amine has a molecular weight of 217.38 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(2-methylpropylsulfanyl)oxan-4-amine is sourced from PubChem (CID 64612141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).