(R)-N-[(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-pyridin-2-ylethyl]-2-methylpropane-2-sulfinamide

C16H26N2O3S — CID 142384395

IUPAC(R)-N-[(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-pyridin-2-ylethyl]-2-methylpropane-2-sulfinamide
SMILESCC1(C)OC[C@H]([C@H](Cc2ccccn2)N[S@](=O)C(C)(C)C)O1
InChIInChI=1S/C16H26N2O3S/c1-15(2,3)22(19)18-13(10-12-8-6-7-9-17-12)14-11-20-16(4,5)21-14/h6-9,13-14,18H,10-11H2,1-5H3/t13-,14+,22+/m0/s1
InChIKeyZCPASFRIRLORQD-DJEJFTSGSA-N
MW326.46 g/mol
LogP2.20
Rot. Bonds5

About (R)-N-[(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-pyridin-2-ylethyl]-2-methylpropane-2-sulfinamide

(R)-N-[(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-pyridin-2-ylethyl]-2-methylpropane-2-sulfinamide (PubChem CID 142384395) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is (R)-N-[(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-pyridin-2-ylethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-pyridin-2-ylethyl]-2-methylpropane-2-sulfinamide
PubChem CID142384395
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC Name(R)-N-[(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-pyridin-2-ylethyl]-2-methylpropane-2-sulfinamide
SMILESCC1(C)OC[C@H]([C@H](Cc2ccccn2)N[S@](=O)C(C)(C)C)O1
InChIInChI=1S/C16H26N2O3S/c1-15(2,3)22(19)18-13(10-12-8-6-7-9-17-12)14-11-20-16(4,5)21-14/h6-9,13-14,18H,10-11H2,1-5H3/t13-,14+,22+/m0/s1
InChIKeyZCPASFRIRLORQD-DJEJFTSGSA-N
XLogP2.20
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (R)-N-[(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-pyridin-2-ylethyl]-2-methylpropane-2-sulfinamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(2R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-pyridin-2-ylpropan-2-yl]-2-methylpropane-2-sulfinamide
CID 135138552
N-[(1R,2S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-2-pyridin-2-ylethyl]-2-methylpropane-2-sulfinamide
CID 135181886
(R)-N-[(2R,4S)-4-hydroxy-1-pyridin-2-ylpentan-2-yl]-2-methylpropane-2-sulfinamide
CID 140879318
(R)-N-[(2R,3R)-3-methoxy-4-phenylmethoxy-1-pyridin-2-ylbutan-2-yl]-2-methylpropane-2-sulfinamide
CID 140879439
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyridin-2-amine
CID 107389192
1-cyclopropyl-N-methyl-2-pyridin-2-ylethanamine
CID 63352689
2-methyl-N-[(1S)-1-pyridin-2-ylethyl]propane-2-sulfinamide
CID 102512777
N-[2-pyridin-2-yl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethyl]propan-1-amine
CID 114622871
N-methyl-1-(oxolan-3-yl)-2-pyridin-2-ylethanamine
CID 63563236
(1S)-2-(benzenesulfinyl)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanamine
CID 12031080
tert-butyl 3-(benzylamino)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)propanoate
CID 18465678
[(2S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-3-phenylpropyl]carbamic acid
CID 67221524

Frequently Asked Questions

What is the IUPAC name of (R)-N-[(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-pyridin-2-ylethyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-pyridin-2-ylethyl]-2-methylpropane-2-sulfinamide (CID 142384395) is (R)-N-[(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-pyridin-2-ylethyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-pyridin-2-ylethyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-pyridin-2-ylethyl]-2-methylpropane-2-sulfinamide is CC1(C)OC[C@H]([C@H](Cc2ccccn2)N[S@](=O)C(C)(C)C)O1.
What is the InChIKey of (R)-N-[(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-pyridin-2-ylethyl]-2-methylpropane-2-sulfinamide?
The InChIKey is ZCPASFRIRLORQD-DJEJFTSGSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-15(2,3)22(19)18-13(10-12-8-6-7-9-17-12)14-11-20-16(4,5)21-14/h6-9,13-14,18H,10-11H2,1-5H3/t13-,14+,22+/m0/s1.
What are the key properties of (R)-N-[(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-pyridin-2-ylethyl]-2-methylpropane-2-sulfinamide?
(R)-N-[(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-pyridin-2-ylethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 326.46 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-pyridin-2-ylethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 142384395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).