N'-(3-methylsulfonyl-2-pyridinyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

C10H14F3N3O2S — CID 107494189

IUPACN'-(3-methylsulfonyl-2-pyridinyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCS(=O)(=O)c1cccnc1N(CCN)CC(F)(F)F
InChIInChI=1S/C10H14F3N3O2S/c1-19(17,18)8-3-2-5-15-9(8)16(6-4-14)7-10(11,12)13/h2-3,5H,4,6-7,14H2,1H3
InChIKeyXEOKKZNKHBTFBY-UHFFFAOYSA-N
MW297.30 g/mol
LogP0.81
Rot. Bonds5

About N'-(3-methylsulfonyl-2-pyridinyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

N'-(3-methylsulfonyl-2-pyridinyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (PubChem CID 107494189) has the molecular formula C10H14F3N3O2S and a molecular weight of 297.30 g/mol. Its IUPAC name is N'-(3-methylsulfonyl-2-pyridinyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3-methylsulfonyl-2-pyridinyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
PubChem CID107494189
Molecular FormulaC10H14F3N3O2S
Molecular Weight297.30 g/mol
Exact Mass297.08
IUPAC NameN'-(3-methylsulfonyl-2-pyridinyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCS(=O)(=O)c1cccnc1N(CCN)CC(F)(F)F
InChIInChI=1S/C10H14F3N3O2S/c1-19(17,18)8-3-2-5-15-9(8)16(6-4-14)7-10(11,12)13/h2-3,5H,4,6-7,14H2,1H3
InChIKeyXEOKKZNKHBTFBY-UHFFFAOYSA-N
XLogP0.81
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-(2-methoxyethyl)-N'-(3-methylsulfonyl-2-pyridinyl)propane-1,3-diamine
CID 114598399
N'-pyrimidin-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107494336
N-(3-bromopropyl)-N-ethyl-3-methylsulfonylpyridin-2-amine
CID 114600066
2-amino-N-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
CID 62146162
N'-furo[3,2-c]pyridin-4-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107494224
2-[[3-(1-aminoethyl)-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 114056489
2-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
CID 106594255
3-bromo-N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 107490411
6-[2-aminoethyl(2,2,2-trifluoroethyl)amino]pyridine-3-sulfonamide
CID 107494274
N'-propan-2-yl-N'-[3-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
CID 55218815
N,N-diethyl-3-ethylsulfonylpyridin-2-amine
CID 117062133
2-[cyclobutyl-(3-methylsulfonyl-2-pyridinyl)amino]ethanol
CID 102869029

Frequently Asked Questions

What is the IUPAC name of N'-(3-methylsulfonyl-2-pyridinyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The IUPAC name of N'-(3-methylsulfonyl-2-pyridinyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (CID 107494189) is N'-(3-methylsulfonyl-2-pyridinyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(3-methylsulfonyl-2-pyridinyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The canonical SMILES for N'-(3-methylsulfonyl-2-pyridinyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is CS(=O)(=O)c1cccnc1N(CCN)CC(F)(F)F.
What is the InChIKey of N'-(3-methylsulfonyl-2-pyridinyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The InChIKey is XEOKKZNKHBTFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2S/c1-19(17,18)8-3-2-5-15-9(8)16(6-4-14)7-10(11,12)13/h2-3,5H,4,6-7,14H2,1H3.
What are the key properties of N'-(3-methylsulfonyl-2-pyridinyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
N'-(3-methylsulfonyl-2-pyridinyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine has a molecular weight of 297.30 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methylsulfonyl-2-pyridinyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 107494189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).