ethane;4-ethenylsulfanyl-5-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridine

C15H31NS — CID 143927754

IUPACethane;4-ethenylsulfanyl-5-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridine
SMILESC=CSC1=C(C)CN(C(C)C)CC1.CC.CC
InChIInChI=1S/C11H19NS.2C2H6/c1-5-13-11-6-7-12(9(2)3)8-10(11)4;2*1-2/h5,9H,1,6-8H2,2-4H3;2*1-2H3
InChIKeyMOSYXFWQSSYXSS-UHFFFAOYSA-N
MW257.49 g/mol
LogP5.30
Rot. Bonds3

About ethane;4-ethenylsulfanyl-5-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridine

ethane;4-ethenylsulfanyl-5-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridine (PubChem CID 143927754) has the molecular formula C15H31NS and a molecular weight of 257.49 g/mol. Its IUPAC name is ethane;4-ethenylsulfanyl-5-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Nameethane;4-ethenylsulfanyl-5-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridine
PubChem CID143927754
Molecular FormulaC15H31NS
Molecular Weight257.49 g/mol
Exact Mass257.22
IUPAC Nameethane;4-ethenylsulfanyl-5-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridine
SMILESC=CSC1=C(C)CN(C(C)C)CC1.CC.CC
InChIInChI=1S/C11H19NS.2C2H6/c1-5-13-11-6-7-12(9(2)3)8-10(11)4;2*1-2/h5,9H,1,6-8H2,2-4H3;2*1-2H3
InChIKeyMOSYXFWQSSYXSS-UHFFFAOYSA-N
XLogP5.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500257.49
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;4-ethenylsulfanyl-5-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridine?
The IUPAC name of ethane;4-ethenylsulfanyl-5-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridine (CID 143927754) is ethane;4-ethenylsulfanyl-5-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for ethane;4-ethenylsulfanyl-5-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridine?
The canonical SMILES for ethane;4-ethenylsulfanyl-5-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridine is C=CSC1=C(C)CN(C(C)C)CC1.CC.CC.
What is the InChIKey of ethane;4-ethenylsulfanyl-5-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridine?
The InChIKey is MOSYXFWQSSYXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NS.2C2H6/c1-5-13-11-6-7-12(9(2)3)8-10(11)4;2*1-2/h5,9H,1,6-8H2,2-4H3;2*1-2H3.
What are the key properties of ethane;4-ethenylsulfanyl-5-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridine?
ethane;4-ethenylsulfanyl-5-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridine has a molecular weight of 257.49 g/mol, XLogP of 5.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethenylsulfanyl-5-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 143927754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).