trimethyl-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)-λ4-sulfane

C11H23NS — CID 175620306

IUPACtrimethyl-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)-λ4-sulfane
SMILESCC(C)N1CC=C(S(C)(C)C)CC1
InChIInChI=1S/C11H23NS/c1-10(2)12-8-6-11(7-9-12)13(3,4)5/h6,10H,7-9H2,1-5H3
InChIKeyLDKHENADFOLNOB-UHFFFAOYSA-N
MW201.38 g/mol
LogP2.68
Rot. Bonds2

About trimethyl-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)-λ4-sulfane

trimethyl-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)-λ4-sulfane (PubChem CID 175620306) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is trimethyl-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)-λ4-sulfane.

Molecular Properties

Compound Nametrimethyl-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)-λ4-sulfane
PubChem CID175620306
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC Nametrimethyl-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)-λ4-sulfane
SMILESCC(C)N1CC=C(S(C)(C)C)CC1
InChIInChI=1S/C11H23NS/c1-10(2)12-8-6-11(7-9-12)13(3,4)5/h6,10H,7-9H2,1-5H3
InChIKeyLDKHENADFOLNOB-UHFFFAOYSA-N
XLogP2.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.38
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of trimethyl-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)-λ4-sulfane?
The IUPAC name of trimethyl-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)-λ4-sulfane (CID 175620306) is trimethyl-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)-λ4-sulfane.
What is the SMILES notation for trimethyl-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)-λ4-sulfane?
The canonical SMILES for trimethyl-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)-λ4-sulfane is CC(C)N1CC=C(S(C)(C)C)CC1.
What is the InChIKey of trimethyl-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)-λ4-sulfane?
The InChIKey is LDKHENADFOLNOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS/c1-10(2)12-8-6-11(7-9-12)13(3,4)5/h6,10H,7-9H2,1-5H3.
What are the key properties of trimethyl-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)-λ4-sulfane?
trimethyl-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)-λ4-sulfane has a molecular weight of 201.38 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)-λ4-sulfane is sourced from PubChem (CID 175620306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).