[1-[5-(2-chloro-3-methylphenyl)sulfanylpyrazin-2-yl]-4-methylpiperidin-4-yl]methanamine

C18H23ClN4S — CID 174250435

IUPAC[1-[5-(2-chloro-3-methylphenyl)sulfanylpyrazin-2-yl]-4-methylpiperidin-4-yl]methanamine
SMILESCc1cccc(Sc2cnc(N3CCC(C)(CN)CC3)cn2)c1Cl
InChIInChI=1S/C18H23ClN4S/c1-13-4-3-5-14(17(13)19)24-16-11-21-15(10-22-16)23-8-6-18(2,12-20)7-9-23/h3-5,10-11H,6-9,12,20H2,1-2H3
InChIKeyWJAFJMZARGBNDL-UHFFFAOYSA-N
MW362.93 g/mol
LogP4.15
Rot. Bonds4

About [1-[5-(2-chloro-3-methylphenyl)sulfanylpyrazin-2-yl]-4-methylpiperidin-4-yl]methanamine

[1-[5-(2-chloro-3-methylphenyl)sulfanylpyrazin-2-yl]-4-methylpiperidin-4-yl]methanamine (PubChem CID 174250435) has the molecular formula C18H23ClN4S and a molecular weight of 362.93 g/mol. Its IUPAC name is [1-[5-(2-chloro-3-methylphenyl)sulfanylpyrazin-2-yl]-4-methylpiperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-[5-(2-chloro-3-methylphenyl)sulfanylpyrazin-2-yl]-4-methylpiperidin-4-yl]methanamine
PubChem CID174250435
Molecular FormulaC18H23ClN4S
Molecular Weight362.93 g/mol
Exact Mass362.13
IUPAC Name[1-[5-(2-chloro-3-methylphenyl)sulfanylpyrazin-2-yl]-4-methylpiperidin-4-yl]methanamine
SMILESCc1cccc(Sc2cnc(N3CCC(C)(CN)CC3)cn2)c1Cl
InChIInChI=1S/C18H23ClN4S/c1-13-4-3-5-14(17(13)19)24-16-11-21-15(10-22-16)23-8-6-18(2,12-20)7-9-23/h3-5,10-11H,6-9,12,20H2,1-2H3
InChIKeyWJAFJMZARGBNDL-UHFFFAOYSA-N
XLogP4.15
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.93
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazin-2-yl]sulfanyl-2-chloro-N,N-dimethyl-6-(methylideneamino)benzamide
CID 174367616
tert-butyl-[[1-[5-(2-chloro-3-fluorosulfonylphenyl)sulfanylpyrazin-2-yl]-4-methylpiperidin-4-yl]methyl]carbamic acid
CID 174232612
N-[3-[5-(4-amino-4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]pyridine-2-carboxamide
CID 171778221
(3R,4S)-1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-(aminomethyl)-4-methylpiperidin-3-ol;(3S,4R)-1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-(aminomethyl)-4-methylpiperidin-3-ol
CID 158312745
4-methyl-1-(5-phenylsulfanylpyrazin-2-yl)piperidin-4-amine
CID 175845610
[1-[5-(3-benzyl-5-chloro-4-oxoquinazolin-6-yl)sulfanylpyrazin-2-yl]-4-methylpiperidin-4-yl]methylcarbamic acid
CID 174232624
methyl 2-chloro-3-[5-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazin-2-yl]sulfanylbenzoate
CID 166465061
5-chloro-6-[5-(4,4-dimethylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-3H-quinazolin-4-one
CID 174363975
8-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-methyl-3-oxa-1,8-diazaspiro[4.5]dec-1-ene
CID 135194194
4-[5-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;formonitrile
CID 145210242
2-(4,4-dimethylpiperidin-1-yl)-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazine
CID 135194206
(3S,4S)-8-[5-[2-chloro-3-(pyrazin-2-ylmethyl)phenyl]sulfanylpyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 164966337

Frequently Asked Questions

What is the IUPAC name of [1-[5-(2-chloro-3-methylphenyl)sulfanylpyrazin-2-yl]-4-methylpiperidin-4-yl]methanamine?
The IUPAC name of [1-[5-(2-chloro-3-methylphenyl)sulfanylpyrazin-2-yl]-4-methylpiperidin-4-yl]methanamine (CID 174250435) is [1-[5-(2-chloro-3-methylphenyl)sulfanylpyrazin-2-yl]-4-methylpiperidin-4-yl]methanamine.
What is the SMILES notation for [1-[5-(2-chloro-3-methylphenyl)sulfanylpyrazin-2-yl]-4-methylpiperidin-4-yl]methanamine?
The canonical SMILES for [1-[5-(2-chloro-3-methylphenyl)sulfanylpyrazin-2-yl]-4-methylpiperidin-4-yl]methanamine is Cc1cccc(Sc2cnc(N3CCC(C)(CN)CC3)cn2)c1Cl.
What is the InChIKey of [1-[5-(2-chloro-3-methylphenyl)sulfanylpyrazin-2-yl]-4-methylpiperidin-4-yl]methanamine?
The InChIKey is WJAFJMZARGBNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4S/c1-13-4-3-5-14(17(13)19)24-16-11-21-15(10-22-16)23-8-6-18(2,12-20)7-9-23/h3-5,10-11H,6-9,12,20H2,1-2H3.
What are the key properties of [1-[5-(2-chloro-3-methylphenyl)sulfanylpyrazin-2-yl]-4-methylpiperidin-4-yl]methanamine?
[1-[5-(2-chloro-3-methylphenyl)sulfanylpyrazin-2-yl]-4-methylpiperidin-4-yl]methanamine has a molecular weight of 362.93 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(2-chloro-3-methylphenyl)sulfanylpyrazin-2-yl]-4-methylpiperidin-4-yl]methanamine is sourced from PubChem (CID 174250435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).