1-methyl-3-[4-(thian-3-ylamino)piperidin-1-yl]pyrazin-2-one

C15H24N4OS — CID 128976202

IUPAC1-methyl-3-[4-(thian-3-ylamino)piperidin-1-yl]pyrazin-2-one
SMILESCn1ccnc(N2CCC(NC3CCCSC3)CC2)c1=O
InChIInChI=1S/C15H24N4OS/c1-18-9-6-16-14(15(18)20)19-7-4-12(5-8-19)17-13-3-2-10-21-11-13/h6,9,12-13,17H,2-5,7-8,10-11H2,1H3
InChIKeyCEESPWOCWTXNOG-UHFFFAOYSA-N
MW308.45 g/mol
LogP1.23
Rot. Bonds3

About 1-methyl-3-[4-(thian-3-ylamino)piperidin-1-yl]pyrazin-2-one

1-methyl-3-[4-(thian-3-ylamino)piperidin-1-yl]pyrazin-2-one (PubChem CID 128976202) has the molecular formula C15H24N4OS and a molecular weight of 308.45 g/mol. Its IUPAC name is 1-methyl-3-[4-(thian-3-ylamino)piperidin-1-yl]pyrazin-2-one.

Molecular Properties

Compound Name1-methyl-3-[4-(thian-3-ylamino)piperidin-1-yl]pyrazin-2-one
PubChem CID128976202
Molecular FormulaC15H24N4OS
Molecular Weight308.45 g/mol
Exact Mass308.17
IUPAC Name1-methyl-3-[4-(thian-3-ylamino)piperidin-1-yl]pyrazin-2-one
SMILESCn1ccnc(N2CCC(NC3CCCSC3)CC2)c1=O
InChIInChI=1S/C15H24N4OS/c1-18-9-6-16-14(15(18)20)19-7-4-12(5-8-19)17-13-3-2-10-21-11-13/h6,9,12-13,17H,2-5,7-8,10-11H2,1H3
InChIKeyCEESPWOCWTXNOG-UHFFFAOYSA-N
XLogP1.23
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-[(cyclopropylamino)methyl]piperidin-1-yl]-1-methylpyrazin-2-one
CID 62938713
3-[3-[(4-methoxycyclohexyl)amino]piperidin-1-yl]-1-methylpyrazin-2-one
CID 128992835
3-[4-(difluoromethyl)piperidin-1-yl]-1-methylpyrazin-2-one
CID 166604873
3-[(3R)-3-hydroxypyrrolidin-1-yl]-1-methylpyrazin-2-one
CID 103696647
3-[4-(1-aminoethyl)piperidin-1-yl]-1-methylpyrazin-2-one
CID 63596080
N-[(1-methylimidazol-2-yl)methyl]thian-3-amine
CID 63292249
1-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-4-yl]-3-thiophen-3-ylurea
CID 128985624
1-methyl-3-[(3R)-3-[(4-phenylcyclohexyl)amino]piperidin-1-yl]pyrazin-2-one
CID 129474978
3-[(3S)-3-(2,3-dihydro-1H-inden-2-ylamino)piperidin-1-yl]-1-methylpyrazin-2-one
CID 129475497
3-[4-[[(1S)-cyclohex-3-en-1-yl]methylamino]piperidin-1-yl]-1-methylpyrazin-2-one
CID 129343770
3-[(3S)-3-aminopyrrolidin-1-yl]-1-methylpyrazin-2-one
CID 94897001
3-[4-(2-aminoethyl)piperidin-1-yl]-1-methylpyrazin-2-one
CID 62940456

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[4-(thian-3-ylamino)piperidin-1-yl]pyrazin-2-one?
The IUPAC name of 1-methyl-3-[4-(thian-3-ylamino)piperidin-1-yl]pyrazin-2-one (CID 128976202) is 1-methyl-3-[4-(thian-3-ylamino)piperidin-1-yl]pyrazin-2-one.
What is the SMILES notation for 1-methyl-3-[4-(thian-3-ylamino)piperidin-1-yl]pyrazin-2-one?
The canonical SMILES for 1-methyl-3-[4-(thian-3-ylamino)piperidin-1-yl]pyrazin-2-one is Cn1ccnc(N2CCC(NC3CCCSC3)CC2)c1=O.
What is the InChIKey of 1-methyl-3-[4-(thian-3-ylamino)piperidin-1-yl]pyrazin-2-one?
The InChIKey is CEESPWOCWTXNOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4OS/c1-18-9-6-16-14(15(18)20)19-7-4-12(5-8-19)17-13-3-2-10-21-11-13/h6,9,12-13,17H,2-5,7-8,10-11H2,1H3.
What are the key properties of 1-methyl-3-[4-(thian-3-ylamino)piperidin-1-yl]pyrazin-2-one?
1-methyl-3-[4-(thian-3-ylamino)piperidin-1-yl]pyrazin-2-one has a molecular weight of 308.45 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[4-(thian-3-ylamino)piperidin-1-yl]pyrazin-2-one is sourced from PubChem (CID 128976202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).