3-methylsulfonyl-N-[1-(trifluoromethyl)cyclopropyl]pyridin-2-amine

C10H11F3N2O2S — CID 106214723

IUPAC3-methylsulfonyl-N-[1-(trifluoromethyl)cyclopropyl]pyridin-2-amine
SMILESCS(=O)(=O)c1cccnc1NC1(C(F)(F)F)CC1
InChIInChI=1S/C10H11F3N2O2S/c1-18(16,17)7-3-2-6-14-8(7)15-9(4-5-9)10(11,12)13/h2-3,6H,4-5H2,1H3,(H,14,15)
InChIKeyQEMFJQPQZAGGGB-UHFFFAOYSA-N
MW280.27 g/mol
LogP1.99
Rot. Bonds3

About 3-methylsulfonyl-N-[1-(trifluoromethyl)cyclopropyl]pyridin-2-amine

3-methylsulfonyl-N-[1-(trifluoromethyl)cyclopropyl]pyridin-2-amine (PubChem CID 106214723) has the molecular formula C10H11F3N2O2S and a molecular weight of 280.27 g/mol. Its IUPAC name is 3-methylsulfonyl-N-[1-(trifluoromethyl)cyclopropyl]pyridin-2-amine.

Molecular Properties

Compound Name3-methylsulfonyl-N-[1-(trifluoromethyl)cyclopropyl]pyridin-2-amine
PubChem CID106214723
Molecular FormulaC10H11F3N2O2S
Molecular Weight280.27 g/mol
Exact Mass280.05
IUPAC Name3-methylsulfonyl-N-[1-(trifluoromethyl)cyclopropyl]pyridin-2-amine
SMILESCS(=O)(=O)c1cccnc1NC1(C(F)(F)F)CC1
InChIInChI=1S/C10H11F3N2O2S/c1-18(16,17)7-3-2-6-14-8(7)15-9(4-5-9)10(11,12)13/h2-3,6H,4-5H2,1H3,(H,14,15)
InChIKeyQEMFJQPQZAGGGB-UHFFFAOYSA-N
XLogP1.99
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.27
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-N-[1-(trifluoromethyl)cyclopropyl]pyridin-2-amine
CID 106214712
1-[(3-methylsulfonyl-2-pyridinyl)amino]cyclohexane-1-carboxylic acid
CID 114598246
[1-[(3-methylsulfonyl-2-pyridinyl)amino]cyclohexyl]methanol
CID 114598842
2,2-difluoro-3-[(3-methylsulfonyl-2-pyridinyl)amino]propan-1-ol
CID 106545025
N-[[1-(chloromethyl)cyclopropyl]methyl]-3-methylsulfonylpyridin-2-amine
CID 114600015
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3-methylsulfonylpyridin-2-amine
CID 106544677
2-(aminomethyl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide
CID 106217438
N-[[1-(dimethylamino)cyclobutyl]methyl]-3-methylsulfonylpyridin-2-amine
CID 105419005
N-(2,2-dimethylcyclohexyl)-3-methylsulfonylpyridin-2-amine
CID 114598974
[1-[[(3-methylsulfonyl-2-pyridinyl)amino]methyl]cyclohexyl]methanol
CID 114599025
N-[2-methyl-1-[(3-methylsulfonyl-2-pyridinyl)amino]propan-2-yl]methanesulfonamide
CID 114598887
2-methyl-2-[(3-methylsulfonyl-2-pyridinyl)amino]propanamide
CID 114598733

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonyl-N-[1-(trifluoromethyl)cyclopropyl]pyridin-2-amine?
The IUPAC name of 3-methylsulfonyl-N-[1-(trifluoromethyl)cyclopropyl]pyridin-2-amine (CID 106214723) is 3-methylsulfonyl-N-[1-(trifluoromethyl)cyclopropyl]pyridin-2-amine.
What is the SMILES notation for 3-methylsulfonyl-N-[1-(trifluoromethyl)cyclopropyl]pyridin-2-amine?
The canonical SMILES for 3-methylsulfonyl-N-[1-(trifluoromethyl)cyclopropyl]pyridin-2-amine is CS(=O)(=O)c1cccnc1NC1(C(F)(F)F)CC1.
What is the InChIKey of 3-methylsulfonyl-N-[1-(trifluoromethyl)cyclopropyl]pyridin-2-amine?
The InChIKey is QEMFJQPQZAGGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2S/c1-18(16,17)7-3-2-6-14-8(7)15-9(4-5-9)10(11,12)13/h2-3,6H,4-5H2,1H3,(H,14,15).
What are the key properties of 3-methylsulfonyl-N-[1-(trifluoromethyl)cyclopropyl]pyridin-2-amine?
3-methylsulfonyl-N-[1-(trifluoromethyl)cyclopropyl]pyridin-2-amine has a molecular weight of 280.27 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonyl-N-[1-(trifluoromethyl)cyclopropyl]pyridin-2-amine is sourced from PubChem (CID 106214723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).