2-methyl-N-[(1S)-1-(5-pyridin-3-yl-3-pyridinyl)ethyl]propane-2-sulfinamide

C16H21N3OS — CID 165146618

IUPAC2-methyl-N-[(1S)-1-(5-pyridin-3-yl-3-pyridinyl)ethyl]propane-2-sulfinamide
SMILESC[C@H](NS(=O)C(C)(C)C)c1cncc(-c2cccnc2)c1
InChIInChI=1S/C16H21N3OS/c1-12(19-21(20)16(2,3)4)14-8-15(11-18-10-14)13-6-5-7-17-9-13/h5-12,19H,1-4H3/t12-,21?/m0/s1
InChIKeyJKDCGTQGLDBHHA-SXWUCCAISA-N
MW303.43 g/mol
LogP3.26
Rot. Bonds4

About 2-methyl-N-[(1S)-1-(5-pyridin-3-yl-3-pyridinyl)ethyl]propane-2-sulfinamide

2-methyl-N-[(1S)-1-(5-pyridin-3-yl-3-pyridinyl)ethyl]propane-2-sulfinamide (PubChem CID 165146618) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 2-methyl-N-[(1S)-1-(5-pyridin-3-yl-3-pyridinyl)ethyl]propane-2-sulfinamide.

Molecular Properties

Compound Name2-methyl-N-[(1S)-1-(5-pyridin-3-yl-3-pyridinyl)ethyl]propane-2-sulfinamide
PubChem CID165146618
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name2-methyl-N-[(1S)-1-(5-pyridin-3-yl-3-pyridinyl)ethyl]propane-2-sulfinamide
SMILESC[C@H](NS(=O)C(C)(C)C)c1cncc(-c2cccnc2)c1
InChIInChI=1S/C16H21N3OS/c1-12(19-21(20)16(2,3)4)14-8-15(11-18-10-14)13-6-5-7-17-9-13/h5-12,19H,1-4H3/t12-,21?/m0/s1
InChIKeyJKDCGTQGLDBHHA-SXWUCCAISA-N
XLogP3.26
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[(1S)-1-pyridin-3-ylethyl]propane-2-sulfinamide
CID 102512778
2-methyl-N-[(1R)-1-pyridin-3-ylethyl]propane-2-sulfinamide
CID 102512780
2-methyl-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]propane-2-sulfinamide
CID 134988458
bis(2-methylpropane);3-pyridin-3-ylpyridine
CID 158581875
(R)-N-[(1S)-1-(2-bromo-4-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide
CID 59278411
N-[(1R)-1-(3-ethoxyphenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 172536135
N-[1-[3-bromo-5-(3-chlorophenyl)phenyl]ethyl]-2-methylpropane-2-sulfinamide
CID 171791304
2,2-dimethyl-N-(1-pyridin-3-ylethyl)propanamide
CID 60717480
(S)-2-methyl-N-[1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]propane-2-sulfinamide
CID 134237967
N-[(S)-(4-fluoro-1-hydroxycyclohexyl)-pyridin-3-ylmethyl]-2-methylpropane-2-sulfinamide
CID 121281266
(R)-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 118230707
(R)-N-[1-[2-(4-fluorophenyl)-4-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide
CID 122491233

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1S)-1-(5-pyridin-3-yl-3-pyridinyl)ethyl]propane-2-sulfinamide?
The IUPAC name of 2-methyl-N-[(1S)-1-(5-pyridin-3-yl-3-pyridinyl)ethyl]propane-2-sulfinamide (CID 165146618) is 2-methyl-N-[(1S)-1-(5-pyridin-3-yl-3-pyridinyl)ethyl]propane-2-sulfinamide.
What is the SMILES notation for 2-methyl-N-[(1S)-1-(5-pyridin-3-yl-3-pyridinyl)ethyl]propane-2-sulfinamide?
The canonical SMILES for 2-methyl-N-[(1S)-1-(5-pyridin-3-yl-3-pyridinyl)ethyl]propane-2-sulfinamide is C[C@H](NS(=O)C(C)(C)C)c1cncc(-c2cccnc2)c1.
What is the InChIKey of 2-methyl-N-[(1S)-1-(5-pyridin-3-yl-3-pyridinyl)ethyl]propane-2-sulfinamide?
The InChIKey is JKDCGTQGLDBHHA-SXWUCCAISA-N. The full InChI is InChI=1S/C16H21N3OS/c1-12(19-21(20)16(2,3)4)14-8-15(11-18-10-14)13-6-5-7-17-9-13/h5-12,19H,1-4H3/t12-,21?/m0/s1.
What are the key properties of 2-methyl-N-[(1S)-1-(5-pyridin-3-yl-3-pyridinyl)ethyl]propane-2-sulfinamide?
2-methyl-N-[(1S)-1-(5-pyridin-3-yl-3-pyridinyl)ethyl]propane-2-sulfinamide has a molecular weight of 303.43 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1S)-1-(5-pyridin-3-yl-3-pyridinyl)ethyl]propane-2-sulfinamide is sourced from PubChem (CID 165146618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).