(R)-N-[(1S)-1-(6-tert-butyl-3-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide;sulfane

C15H28N2OS2 — CID 159800437

IUPAC(R)-N-[(1S)-1-(6-tert-butyl-3-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide;sulfane
SMILESC[C@H](N[S@](=O)C(C)(C)C)c1ccc(C(C)(C)C)nc1.S
InChIInChI=1S/C15H26N2OS.H2S/c1-11(17-19(18)15(5,6)7)12-8-9-13(16-10-12)14(2,3)4;/h8-11,17H,1-7H3;1H2/t11-,19+;/m0./s1
InChIKeyNJSICGRWYGSTIJ-WPRSOCCZSA-N
MW316.54 g/mol
LogP3.60
Rot. Bonds3

About (R)-N-[(1S)-1-(6-tert-butyl-3-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide;sulfane

(R)-N-[(1S)-1-(6-tert-butyl-3-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide;sulfane (PubChem CID 159800437) has the molecular formula C15H28N2OS2 and a molecular weight of 316.54 g/mol. Its IUPAC name is (R)-N-[(1S)-1-(6-tert-butyl-3-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide;sulfane.

Molecular Properties

Compound Name(R)-N-[(1S)-1-(6-tert-butyl-3-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide;sulfane
PubChem CID159800437
Molecular FormulaC15H28N2OS2
Molecular Weight316.54 g/mol
Exact Mass316.16
IUPAC Name(R)-N-[(1S)-1-(6-tert-butyl-3-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide;sulfane
SMILESC[C@H](N[S@](=O)C(C)(C)C)c1ccc(C(C)(C)C)nc1.S
InChIInChI=1S/C15H26N2OS.H2S/c1-11(17-19(18)15(5,6)7)12-8-9-13(16-10-12)14(2,3)4;/h8-11,17H,1-7H3;1H2/t11-,19+;/m0./s1
InChIKeyNJSICGRWYGSTIJ-WPRSOCCZSA-N
XLogP3.60
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.54
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (R)-N-[(1S)-1-(6-tert-butyl-3-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide;sulfane?
The IUPAC name of (R)-N-[(1S)-1-(6-tert-butyl-3-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide;sulfane (CID 159800437) is (R)-N-[(1S)-1-(6-tert-butyl-3-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide;sulfane.
What is the SMILES notation for (R)-N-[(1S)-1-(6-tert-butyl-3-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide;sulfane?
The canonical SMILES for (R)-N-[(1S)-1-(6-tert-butyl-3-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide;sulfane is C[C@H](N[S@](=O)C(C)(C)C)c1ccc(C(C)(C)C)nc1.S.
What is the InChIKey of (R)-N-[(1S)-1-(6-tert-butyl-3-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide;sulfane?
The InChIKey is NJSICGRWYGSTIJ-WPRSOCCZSA-N. The full InChI is InChI=1S/C15H26N2OS.H2S/c1-11(17-19(18)15(5,6)7)12-8-9-13(16-10-12)14(2,3)4;/h8-11,17H,1-7H3;1H2/t11-,19+;/m0./s1.
What are the key properties of (R)-N-[(1S)-1-(6-tert-butyl-3-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide;sulfane?
(R)-N-[(1S)-1-(6-tert-butyl-3-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide;sulfane has a molecular weight of 316.54 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(1S)-1-(6-tert-butyl-3-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide;sulfane is sourced from PubChem (CID 159800437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).