N-ethyl-5-pyrrolidin-1-ylsulfonyl-3-(trifluoromethyl)pyridin-2-amine

C12H16F3N3O2S — CID 136574946

IUPACN-ethyl-5-pyrrolidin-1-ylsulfonyl-3-(trifluoromethyl)pyridin-2-amine
SMILESCCNc1ncc(S(=O)(=O)N2CCCC2)cc1C(F)(F)F
InChIInChI=1S/C12H16F3N3O2S/c1-2-16-11-10(12(13,14)15)7-9(8-17-11)21(19,20)18-5-3-4-6-18/h7-8H,2-6H2,1H3,(H,16,17)
InChIKeyMWGJPCYUVUKEDW-UHFFFAOYSA-N
MW323.34 g/mol
LogP2.32
Rot. Bonds4

About N-ethyl-5-pyrrolidin-1-ylsulfonyl-3-(trifluoromethyl)pyridin-2-amine

N-ethyl-5-pyrrolidin-1-ylsulfonyl-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 136574946) has the molecular formula C12H16F3N3O2S and a molecular weight of 323.34 g/mol. Its IUPAC name is N-ethyl-5-pyrrolidin-1-ylsulfonyl-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-ethyl-5-pyrrolidin-1-ylsulfonyl-3-(trifluoromethyl)pyridin-2-amine
PubChem CID136574946
Molecular FormulaC12H16F3N3O2S
Molecular Weight323.34 g/mol
Exact Mass323.09
IUPAC NameN-ethyl-5-pyrrolidin-1-ylsulfonyl-3-(trifluoromethyl)pyridin-2-amine
SMILESCCNc1ncc(S(=O)(=O)N2CCCC2)cc1C(F)(F)F
InChIInChI=1S/C12H16F3N3O2S/c1-2-16-11-10(12(13,14)15)7-9(8-17-11)21(19,20)18-5-3-4-6-18/h7-8H,2-6H2,1H3,(H,16,17)
InChIKeyMWGJPCYUVUKEDW-UHFFFAOYSA-N
XLogP2.32
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.34
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-5-(3,3-dimethylpiperidin-1-yl)sulfonyl-N-ethylpyridin-2-amine
CID 64601331
3-chloro-N-ethyl-5-(3-ethylpiperidin-1-yl)sulfonylpyridin-2-amine
CID 64602239
5-pyrrolidin-1-ylsulfonyl-2-(2,2,2-trifluoroethoxy)pyridine
CID 75448158
1-(3-tert-butyl-4-ethoxyphenyl)sulfonylpyrrolidine
CID 9266602
4-[[5-chloro-6-(ethylamino)-3-pyridinyl]sulfonyl]morpholine-2-carbonitrile
CID 79671468
5-bromo-3-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]pyridin-2-amine
CID 133374222
5-bromo-N-ethyl-3-(4-methylazepan-1-yl)sulfonylpyridin-2-amine
CID 63626897
1-[(5,6-dichloro-3-pyridinyl)sulfonyl]azepane
CID 4730925
5-(1,4-diazepan-1-ylsulfonyl)-N-ethylpyridin-3-amine
CID 82223030
3-chloro-N-methyl-5-(4-propylpiperidin-1-yl)sulfonylpyridin-2-amine
CID 64601309
N-butyl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 5268149
5-(4,4-dimethylpiperidin-1-yl)sulfonyl-N-ethylpyrimidin-2-amine
CID 62930000

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-pyrrolidin-1-ylsulfonyl-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-ethyl-5-pyrrolidin-1-ylsulfonyl-3-(trifluoromethyl)pyridin-2-amine (CID 136574946) is N-ethyl-5-pyrrolidin-1-ylsulfonyl-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-ethyl-5-pyrrolidin-1-ylsulfonyl-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-ethyl-5-pyrrolidin-1-ylsulfonyl-3-(trifluoromethyl)pyridin-2-amine is CCNc1ncc(S(=O)(=O)N2CCCC2)cc1C(F)(F)F.
What is the InChIKey of N-ethyl-5-pyrrolidin-1-ylsulfonyl-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is MWGJPCYUVUKEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O2S/c1-2-16-11-10(12(13,14)15)7-9(8-17-11)21(19,20)18-5-3-4-6-18/h7-8H,2-6H2,1H3,(H,16,17).
What are the key properties of N-ethyl-5-pyrrolidin-1-ylsulfonyl-3-(trifluoromethyl)pyridin-2-amine?
N-ethyl-5-pyrrolidin-1-ylsulfonyl-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 323.34 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-pyrrolidin-1-ylsulfonyl-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 136574946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).