6-ethylsulfanyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrazin-2-amine

C13H19F3N4S — CID 71971642

IUPAC6-ethylsulfanyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrazin-2-amine
SMILESCCSc1cncc(NCC2CCN(CC(F)(F)F)C2)n1
InChIInChI=1S/C13H19F3N4S/c1-2-21-12-7-17-6-11(19-12)18-5-10-3-4-20(8-10)9-13(14,15)16/h6-7,10H,2-5,8-9H2,1H3,(H,18,19)
InChIKeyUSVBFRMOTCAWGC-UHFFFAOYSA-N
MW320.38 g/mol
LogP2.88
Rot. Bonds6

About 6-ethylsulfanyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrazin-2-amine

6-ethylsulfanyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrazin-2-amine (PubChem CID 71971642) has the molecular formula C13H19F3N4S and a molecular weight of 320.38 g/mol. Its IUPAC name is 6-ethylsulfanyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrazin-2-amine.

Molecular Properties

Compound Name6-ethylsulfanyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrazin-2-amine
PubChem CID71971642
Molecular FormulaC13H19F3N4S
Molecular Weight320.38 g/mol
Exact Mass320.13
IUPAC Name6-ethylsulfanyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrazin-2-amine
SMILESCCSc1cncc(NCC2CCN(CC(F)(F)F)C2)n1
InChIInChI=1S/C13H19F3N4S/c1-2-21-12-7-17-6-11(19-12)18-5-10-3-4-20(8-10)9-13(14,15)16/h6-7,10H,2-5,8-9H2,1H3,(H,18,19)
InChIKeyUSVBFRMOTCAWGC-UHFFFAOYSA-N
XLogP2.88
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.38
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-ethylsulfanyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrazin-2-amine with MolForge

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Related Compounds

6-[2-(dimethylamino)ethylsulfanyl]-N-propan-2-ylpyrazin-2-amine
CID 172433262
2-(2-Methylpropylsulfanyl)-3-pyrrolidin-1-ylpyrazine
CID 172435266
N-[2-(6-pyrrolidin-1-ylpyrazin-2-yl)sulfanylethyl]acetamide
CID 172438157
N,N-dimethyl-2-(6-pyrrolidin-1-ylpyrazin-2-yl)sulfanylethanamine
CID 172438243
2-[2-(2,2,2-Trifluoroethyl)guanidino]-6-[(2-aminoethyl)-thio]pyrazine
CID 21298751
2-[2-(2,2,2-Trifluoroethyl)guanidino]-6-[3-(3-methylthioureido)propylthio]pyrazine
CID 21298784
1-methyl-3-[2-[6-[[N'-(2,2,2-trifluoroethyl)carbamimidoyl]amino]pyrazin-2-yl]sulfanylethyl]thiourea
CID 21298812
2-[2-(2,2,2-Trifluoroethyl)guanidino]-6-(3-aminopropylthio)pyrazine
CID 21298819
6-ethylsulfanyl-N-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrazin-2-amine
CID 97597944
6-ethylsulfanyl-N-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrazin-2-amine
CID 97597946
6-ethylsulfanyl-N-(3-methylbutyl)pyrazin-2-amine
CID 75418661
6-butylsulfanyl-N-propylpyrazin-2-amine
CID 80884972

Frequently Asked Questions

What is the IUPAC name of 6-ethylsulfanyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrazin-2-amine?
The IUPAC name of 6-ethylsulfanyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrazin-2-amine (CID 71971642) is 6-ethylsulfanyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrazin-2-amine.
What is the SMILES notation for 6-ethylsulfanyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrazin-2-amine?
The canonical SMILES for 6-ethylsulfanyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrazin-2-amine is CCSc1cncc(NCC2CCN(CC(F)(F)F)C2)n1.
What is the InChIKey of 6-ethylsulfanyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrazin-2-amine?
The InChIKey is USVBFRMOTCAWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4S/c1-2-21-12-7-17-6-11(19-12)18-5-10-3-4-20(8-10)9-13(14,15)16/h6-7,10H,2-5,8-9H2,1H3,(H,18,19).
What are the key properties of 6-ethylsulfanyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrazin-2-amine?
6-ethylsulfanyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrazin-2-amine has a molecular weight of 320.38 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylsulfanyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrazin-2-amine is sourced from PubChem (CID 71971642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).