2,2-difluoro-3-[(3-methylsulfonyl-2-pyridinyl)amino]propan-1-ol

C9H12F2N2O3S — CID 106545025

IUPAC2,2-difluoro-3-[(3-methylsulfonyl-2-pyridinyl)amino]propan-1-ol
SMILESCS(=O)(=O)c1cccnc1NCC(F)(F)CO
InChIInChI=1S/C9H12F2N2O3S/c1-17(15,16)7-3-2-4-12-8(7)13-5-9(10,11)6-14/h2-4,14H,5-6H2,1H3,(H,12,13)
InChIKeyTYNQHCIHDHKPGF-UHFFFAOYSA-N
MW266.27 g/mol
LogP0.52
Rot. Bonds5

About 2,2-difluoro-3-[(3-methylsulfonyl-2-pyridinyl)amino]propan-1-ol

2,2-difluoro-3-[(3-methylsulfonyl-2-pyridinyl)amino]propan-1-ol (PubChem CID 106545025) has the molecular formula C9H12F2N2O3S and a molecular weight of 266.27 g/mol. Its IUPAC name is 2,2-difluoro-3-[(3-methylsulfonyl-2-pyridinyl)amino]propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-[(3-methylsulfonyl-2-pyridinyl)amino]propan-1-ol
PubChem CID106545025
Molecular FormulaC9H12F2N2O3S
Molecular Weight266.27 g/mol
Exact Mass266.05
IUPAC Name2,2-difluoro-3-[(3-methylsulfonyl-2-pyridinyl)amino]propan-1-ol
SMILESCS(=O)(=O)c1cccnc1NCC(F)(F)CO
InChIInChI=1S/C9H12F2N2O3S/c1-17(15,16)7-3-2-4-12-8(7)13-5-9(10,11)6-14/h2-4,14H,5-6H2,1H3,(H,12,13)
InChIKeyTYNQHCIHDHKPGF-UHFFFAOYSA-N
XLogP0.52
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-methyl-1-[(3-methylsulfonyl-2-pyridinyl)amino]propan-2-yl]methanesulfonamide
CID 114598887
2,2-difluoro-3-[(3-methoxy-2-pyridinyl)amino]propan-1-ol
CID 106171996
N-(2-ethyl-2-methylsulfanylbutyl)-3-methylsulfonylpyridin-2-amine
CID 106544549
2-hydroxy-3-[(3-methylsulfonyl-2-pyridinyl)amino]propanamide
CID 114153459
3-methylsulfonyl-N-prop-2-enylpyridin-2-amine
CID 114598823
[3-[[(3-methylsulfonyl-2-pyridinyl)amino]methyl]phenyl]methanol
CID 114599421
N'-(3-methylsulfonyl-2-pyridinyl)-N-propylethane-1,2-diamine
CID 114599239
3-methylsulfonyl-N-[1-(trifluoromethyl)cyclopropyl]pyridin-2-amine
CID 106214723
2-[(3-methylsulfonyl-2-pyridinyl)amino]-N-propan-2-ylacetamide
CID 114598664
3-methyl-2-[(3-methylsulfonyl-2-pyridinyl)amino]butan-1-ol
CID 114598966
2-methyl-2-[(3-methylsulfonyl-2-pyridinyl)amino]propanamide
CID 114598733
[1-[[(3-methylsulfonyl-2-pyridinyl)amino]methyl]cyclohexyl]methanol
CID 114599025

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-[(3-methylsulfonyl-2-pyridinyl)amino]propan-1-ol?
The IUPAC name of 2,2-difluoro-3-[(3-methylsulfonyl-2-pyridinyl)amino]propan-1-ol (CID 106545025) is 2,2-difluoro-3-[(3-methylsulfonyl-2-pyridinyl)amino]propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-[(3-methylsulfonyl-2-pyridinyl)amino]propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-[(3-methylsulfonyl-2-pyridinyl)amino]propan-1-ol is CS(=O)(=O)c1cccnc1NCC(F)(F)CO.
What is the InChIKey of 2,2-difluoro-3-[(3-methylsulfonyl-2-pyridinyl)amino]propan-1-ol?
The InChIKey is TYNQHCIHDHKPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2O3S/c1-17(15,16)7-3-2-4-12-8(7)13-5-9(10,11)6-14/h2-4,14H,5-6H2,1H3,(H,12,13).
What are the key properties of 2,2-difluoro-3-[(3-methylsulfonyl-2-pyridinyl)amino]propan-1-ol?
2,2-difluoro-3-[(3-methylsulfonyl-2-pyridinyl)amino]propan-1-ol has a molecular weight of 266.27 g/mol, XLogP of 0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-[(3-methylsulfonyl-2-pyridinyl)amino]propan-1-ol is sourced from PubChem (CID 106545025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).