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

C17H28N2O3S — CID 135138552

IUPACN-[(2R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-pyridin-2-ylpropan-2-yl]-2-methylpropane-2-sulfinamide
SMILESCC1(C)OC[C@H](C[C@@H](Cc2ccccn2)NS(=O)C(C)(C)C)O1
InChIInChI=1S/C17H28N2O3S/c1-16(2,3)23(20)19-14(10-13-8-6-7-9-18-13)11-15-12-21-17(4,5)22-15/h6-9,14-15,19H,10-12H2,1-5H3/t14-,15+,23?/m1/s1
InChIKeyCTHTUUHJEBIYIS-SXFHDKBCSA-N
MW340.49 g/mol
LogP2.59
Rot. Bonds6

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

N-[(2R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-pyridin-2-ylpropan-2-yl]-2-methylpropane-2-sulfinamide (PubChem CID 135138552) has the molecular formula C17H28N2O3S and a molecular weight of 340.49 g/mol. Its IUPAC name is N-[(2R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-pyridin-2-ylpropan-2-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[(2R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-pyridin-2-ylpropan-2-yl]-2-methylpropane-2-sulfinamide
PubChem CID135138552
Molecular FormulaC17H28N2O3S
Molecular Weight340.49 g/mol
Exact Mass340.18
IUPAC NameN-[(2R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-pyridin-2-ylpropan-2-yl]-2-methylpropane-2-sulfinamide
SMILESCC1(C)OC[C@H](C[C@@H](Cc2ccccn2)NS(=O)C(C)(C)C)O1
InChIInChI=1S/C17H28N2O3S/c1-16(2,3)23(20)19-14(10-13-8-6-7-9-18-13)11-15-12-21-17(4,5)22-15/h6-9,14-15,19H,10-12H2,1-5H3/t14-,15+,23?/m1/s1
InChIKeyCTHTUUHJEBIYIS-SXFHDKBCSA-N
XLogP2.59
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-pyridin-2-ylpropan-2-yl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[(2R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-pyridin-2-ylpropan-2-yl]-2-methylpropane-2-sulfinamide (CID 135138552) is N-[(2R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-pyridin-2-ylpropan-2-yl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[(2R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-pyridin-2-ylpropan-2-yl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[(2R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-pyridin-2-ylpropan-2-yl]-2-methylpropane-2-sulfinamide is CC1(C)OC[C@H](C[C@@H](Cc2ccccn2)NS(=O)C(C)(C)C)O1.
What is the InChIKey of N-[(2R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-pyridin-2-ylpropan-2-yl]-2-methylpropane-2-sulfinamide?
The InChIKey is CTHTUUHJEBIYIS-SXFHDKBCSA-N. The full InChI is InChI=1S/C17H28N2O3S/c1-16(2,3)23(20)19-14(10-13-8-6-7-9-18-13)11-15-12-21-17(4,5)22-15/h6-9,14-15,19H,10-12H2,1-5H3/t14-,15+,23?/m1/s1.
What are the key properties of N-[(2R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-pyridin-2-ylpropan-2-yl]-2-methylpropane-2-sulfinamide?
N-[(2R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-pyridin-2-ylpropan-2-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 340.49 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-pyridin-2-ylpropan-2-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 135138552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).