(5-tert-butyl-1-methylpiperidin-2-yl)-trimethyl-λ4-sulfane

C13H29NS — CID 146544470

IUPAC(5-tert-butyl-1-methylpiperidin-2-yl)-trimethyl-λ4-sulfane
SMILESCN1CC(C(C)(C)C)CCC1S(C)(C)C
InChIInChI=1S/C13H29NS/c1-13(2,3)11-8-9-12(14(4)10-11)15(5,6)7/h11-12H,8-10H2,1-7H3
InChIKeyFEWJCOQOKRISCW-UHFFFAOYSA-N
MW231.45 g/mol
LogP3.39
Rot. Bonds1

About (5-tert-butyl-1-methylpiperidin-2-yl)-trimethyl-λ4-sulfane

(5-tert-butyl-1-methylpiperidin-2-yl)-trimethyl-λ4-sulfane (PubChem CID 146544470) has the molecular formula C13H29NS and a molecular weight of 231.45 g/mol. Its IUPAC name is (5-tert-butyl-1-methylpiperidin-2-yl)-trimethyl-λ4-sulfane.

Molecular Properties

Compound Name(5-tert-butyl-1-methylpiperidin-2-yl)-trimethyl-λ4-sulfane
PubChem CID146544470
Molecular FormulaC13H29NS
Molecular Weight231.45 g/mol
Exact Mass231.20
IUPAC Name(5-tert-butyl-1-methylpiperidin-2-yl)-trimethyl-λ4-sulfane
SMILESCN1CC(C(C)(C)C)CCC1S(C)(C)C
InChIInChI=1S/C13H29NS/c1-13(2,3)11-8-9-12(14(4)10-11)15(5,6)7/h11-12H,8-10H2,1-7H3
InChIKeyFEWJCOQOKRISCW-UHFFFAOYSA-N
XLogP3.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.45
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5-tert-butyl-1-methylpiperidin-2-yl)-trimethyl-λ4-sulfane?
The IUPAC name of (5-tert-butyl-1-methylpiperidin-2-yl)-trimethyl-λ4-sulfane (CID 146544470) is (5-tert-butyl-1-methylpiperidin-2-yl)-trimethyl-λ4-sulfane.
What is the SMILES notation for (5-tert-butyl-1-methylpiperidin-2-yl)-trimethyl-λ4-sulfane?
The canonical SMILES for (5-tert-butyl-1-methylpiperidin-2-yl)-trimethyl-λ4-sulfane is CN1CC(C(C)(C)C)CCC1S(C)(C)C.
What is the InChIKey of (5-tert-butyl-1-methylpiperidin-2-yl)-trimethyl-λ4-sulfane?
The InChIKey is FEWJCOQOKRISCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NS/c1-13(2,3)11-8-9-12(14(4)10-11)15(5,6)7/h11-12H,8-10H2,1-7H3.
What are the key properties of (5-tert-butyl-1-methylpiperidin-2-yl)-trimethyl-λ4-sulfane?
(5-tert-butyl-1-methylpiperidin-2-yl)-trimethyl-λ4-sulfane has a molecular weight of 231.45 g/mol, XLogP of 3.39, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tert-butyl-1-methylpiperidin-2-yl)-trimethyl-λ4-sulfane is sourced from PubChem (CID 146544470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).