(R)-N-[(1S)-1-[5-chloro-6-(1,1-difluoroethyl)-3-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide;sulfane

C13H21ClF2N2OS2 — CID 158673447

IUPAC(R)-N-[(1S)-1-[5-chloro-6-(1,1-difluoroethyl)-3-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide;sulfane
SMILESC[C@H](N[S@](=O)C(C)(C)C)c1cnc(C(C)(F)F)c(Cl)c1.S
InChIInChI=1S/C13H19ClF2N2OS.H2S/c1-8(18-20(19)12(2,3)4)9-6-10(14)11(17-7-9)13(5,15)16;/h6-8,18H,1-5H3;1H2/t8-,20+;/m0./s1
InChIKeyIEFOVAYOAKGBFL-XBXYXHSLSA-N
MW358.91 g/mol
LogP4.07
Rot. Bonds4

About (R)-N-[(1S)-1-[5-chloro-6-(1,1-difluoroethyl)-3-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide;sulfane

(R)-N-[(1S)-1-[5-chloro-6-(1,1-difluoroethyl)-3-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide;sulfane (PubChem CID 158673447) has the molecular formula C13H21ClF2N2OS2 and a molecular weight of 358.91 g/mol. Its IUPAC name is (R)-N-[(1S)-1-[5-chloro-6-(1,1-difluoroethyl)-3-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide;sulfane.

Molecular Properties

Compound Name(R)-N-[(1S)-1-[5-chloro-6-(1,1-difluoroethyl)-3-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide;sulfane
PubChem CID158673447
Molecular FormulaC13H21ClF2N2OS2
Molecular Weight358.91 g/mol
Exact Mass358.08
IUPAC Name(R)-N-[(1S)-1-[5-chloro-6-(1,1-difluoroethyl)-3-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide;sulfane
SMILESC[C@H](N[S@](=O)C(C)(C)C)c1cnc(C(C)(F)F)c(Cl)c1.S
InChIInChI=1S/C13H19ClF2N2OS.H2S/c1-8(18-20(19)12(2,3)4)9-6-10(14)11(17-7-9)13(5,15)16;/h6-8,18H,1-5H3;1H2/t8-,20+;/m0./s1
InChIKeyIEFOVAYOAKGBFL-XBXYXHSLSA-N
XLogP4.07
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.91
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (R)-N-[(1S)-1-[5-chloro-6-(1,1-difluoroethyl)-3-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide;sulfane with MolForge

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Related Compounds

(R)-2-methyl-N-[(1S)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]propane-2-sulfinamide
CID 121397426
(R)-N-[(1R)-1-(4-chloro-5-fluoro-2-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide
CID 163278122
N-[[5-chloro-6-(difluoromethyl)-2-pyridinyl]-[5-chloro-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-methylpropane-2-sulfinamide
CID 162509755
N-[(1R)-1-(3-chloroisoquinolin-6-yl)ethyl]-2-methylpropane-2-sulfinamide
CID 129107018
N-[1-[3-chloro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-2-methylpropane-2-sulfinamide
CID 67510510
N-[(1R)-1-[3-chloro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-2-methylpropane-2-sulfinamide
CID 67510508
(R)-N-[(1S)-1-(6-tert-butyl-3-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide;sulfane
CID 159800437
(R)-2-methyl-N-(1-quinolin-3-ylethyl)propane-2-sulfinamide
CID 170836453
2-methyl-N-(1-quinolin-3-ylethyl)propane-2-sulfinamide
CID 57431929
2-methyl-N-[(1R)-1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]propane-2-sulfinamide
CID 134229696
(S)-2-methyl-N-[1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]propane-2-sulfinamide
CID 134237967
(R)-N-[(1S)-1-(6-chloro-5-fluoro-3-pyridinyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide
CID 176945435

Frequently Asked Questions

What is the IUPAC name of (R)-N-[(1S)-1-[5-chloro-6-(1,1-difluoroethyl)-3-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide;sulfane?
The IUPAC name of (R)-N-[(1S)-1-[5-chloro-6-(1,1-difluoroethyl)-3-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide;sulfane (CID 158673447) is (R)-N-[(1S)-1-[5-chloro-6-(1,1-difluoroethyl)-3-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide;sulfane.
What is the SMILES notation for (R)-N-[(1S)-1-[5-chloro-6-(1,1-difluoroethyl)-3-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide;sulfane?
The canonical SMILES for (R)-N-[(1S)-1-[5-chloro-6-(1,1-difluoroethyl)-3-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide;sulfane is C[C@H](N[S@](=O)C(C)(C)C)c1cnc(C(C)(F)F)c(Cl)c1.S.
What is the InChIKey of (R)-N-[(1S)-1-[5-chloro-6-(1,1-difluoroethyl)-3-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide;sulfane?
The InChIKey is IEFOVAYOAKGBFL-XBXYXHSLSA-N. The full InChI is InChI=1S/C13H19ClF2N2OS.H2S/c1-8(18-20(19)12(2,3)4)9-6-10(14)11(17-7-9)13(5,15)16;/h6-8,18H,1-5H3;1H2/t8-,20+;/m0./s1.
What are the key properties of (R)-N-[(1S)-1-[5-chloro-6-(1,1-difluoroethyl)-3-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide;sulfane?
(R)-N-[(1S)-1-[5-chloro-6-(1,1-difluoroethyl)-3-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide;sulfane has a molecular weight of 358.91 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(1S)-1-[5-chloro-6-(1,1-difluoroethyl)-3-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide;sulfane is sourced from PubChem (CID 158673447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).