4-methyl-1-(5-phenylsulfanylpyrazin-2-yl)piperidin-4-amine

C16H20N4S — CID 175845610

IUPAC4-methyl-1-(5-phenylsulfanylpyrazin-2-yl)piperidin-4-amine
SMILESCC1(N)CCN(c2cnc(Sc3ccccc3)cn2)CC1
InChIInChI=1S/C16H20N4S/c1-16(17)7-9-20(10-8-16)14-11-19-15(12-18-14)21-13-5-3-2-4-6-13/h2-6,11-12H,7-10,17H2,1H3
InChIKeyKEOFYKFOGUJEAC-UHFFFAOYSA-N
MW300.43 g/mol
LogP2.95
Rot. Bonds3

About 4-methyl-1-(5-phenylsulfanylpyrazin-2-yl)piperidin-4-amine

4-methyl-1-(5-phenylsulfanylpyrazin-2-yl)piperidin-4-amine (PubChem CID 175845610) has the molecular formula C16H20N4S and a molecular weight of 300.43 g/mol. Its IUPAC name is 4-methyl-1-(5-phenylsulfanylpyrazin-2-yl)piperidin-4-amine.

Molecular Properties

Compound Name4-methyl-1-(5-phenylsulfanylpyrazin-2-yl)piperidin-4-amine
PubChem CID175845610
Molecular FormulaC16H20N4S
Molecular Weight300.43 g/mol
Exact Mass300.14
IUPAC Name4-methyl-1-(5-phenylsulfanylpyrazin-2-yl)piperidin-4-amine
SMILESCC1(N)CCN(c2cnc(Sc3ccccc3)cn2)CC1
InChIInChI=1S/C16H20N4S/c1-16(17)7-9-20(10-8-16)14-11-19-15(12-18-14)21-13-5-3-2-4-6-13/h2-6,11-12H,7-10,17H2,1H3
InChIKeyKEOFYKFOGUJEAC-UHFFFAOYSA-N
XLogP2.95
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[5-(4-amino-4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]pyridine-2-carboxamide
CID 171778221
6-(4,4-dimethylpiperidin-1-yl)-3-phenylsulfanylpyrazin-2-amine
CID 167263224
[3-[5-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanylphenyl]methanol
CID 145210172
[1-[5-(2-chloro-3-methylphenyl)sulfanylpyrazin-2-yl]-4-methylpiperidin-4-yl]methanamine
CID 174250435
2-(4,4-dimethylpiperidin-1-yl)-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazine
CID 135194206
(4S)-1'-[5-(4-fluorophenyl)sulfanylpyrazin-2-yl]spiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,4'-piperidine]-4-amine
CID 171471247
8-[5-(4-bromo-3-chlorophenyl)sulfanylpyrazin-2-yl]-8-azaspiro[4.5]decane
CID 145210227
1-[5-[4-(trifluoromethoxy)phenyl]sulfanylpyrazin-2-yl]-azacycloundecane
CID 147066816
[1-[5-[3-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]phenyl]sulfanylpyrazin-2-yl]-4-methylpiperidin-4-yl] carbamate
CID 175366921
1-[4-[[2-(4-amino-4-methylpiperidin-1-yl)-3H-imidazo[4,5-b]pyrazin-5-yl]sulfanyl]phenyl]cyclobutane-1-carbonitrile
CID 165153699
N'-[3-[5-(4-amino-4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanylphenyl]-N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]tetradecanediamide
CID 167308480
(4S)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-phenyl-2,8-diazaspiro[4.5]decan-4-amine
CID 155591704

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(5-phenylsulfanylpyrazin-2-yl)piperidin-4-amine?
The IUPAC name of 4-methyl-1-(5-phenylsulfanylpyrazin-2-yl)piperidin-4-amine (CID 175845610) is 4-methyl-1-(5-phenylsulfanylpyrazin-2-yl)piperidin-4-amine.
What is the SMILES notation for 4-methyl-1-(5-phenylsulfanylpyrazin-2-yl)piperidin-4-amine?
The canonical SMILES for 4-methyl-1-(5-phenylsulfanylpyrazin-2-yl)piperidin-4-amine is CC1(N)CCN(c2cnc(Sc3ccccc3)cn2)CC1.
What is the InChIKey of 4-methyl-1-(5-phenylsulfanylpyrazin-2-yl)piperidin-4-amine?
The InChIKey is KEOFYKFOGUJEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4S/c1-16(17)7-9-20(10-8-16)14-11-19-15(12-18-14)21-13-5-3-2-4-6-13/h2-6,11-12H,7-10,17H2,1H3.
What are the key properties of 4-methyl-1-(5-phenylsulfanylpyrazin-2-yl)piperidin-4-amine?
4-methyl-1-(5-phenylsulfanylpyrazin-2-yl)piperidin-4-amine has a molecular weight of 300.43 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(5-phenylsulfanylpyrazin-2-yl)piperidin-4-amine is sourced from PubChem (CID 175845610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).