1-(4-methylpiperidin-1-yl)-2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone

C14H24N4OS — CID 1451354

IUPAC1-(4-methylpiperidin-1-yl)-2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone
SMILESCC1CCN(C(=O)CSc2nnc(C(C)C)n2C)CC1
InChIInChI=1S/C14H24N4OS/c1-10(2)13-15-16-14(17(13)4)20-9-12(19)18-7-5-11(3)6-8-18/h10-11H,5-9H2,1-4H3
InChIKeySIDRTZCHMRPGKZ-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.29
Rot. Bonds4

About 1-(4-methylpiperidin-1-yl)-2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone

1-(4-methylpiperidin-1-yl)-2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone (PubChem CID 1451354) has the molecular formula C14H24N4OS and a molecular weight of 296.44 g/mol. Its IUPAC name is 1-(4-methylpiperidin-1-yl)-2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone.

Molecular Properties

Compound Name1-(4-methylpiperidin-1-yl)-2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone
PubChem CID1451354
Molecular FormulaC14H24N4OS
Molecular Weight296.44 g/mol
Exact Mass296.17
IUPAC Name1-(4-methylpiperidin-1-yl)-2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone
SMILESCC1CCN(C(=O)CSc2nnc(C(C)C)n2C)CC1
InChIInChI=1S/C14H24N4OS/c1-10(2)13-15-16-14(17(13)4)20-9-12(19)18-7-5-11(3)6-8-18/h10-11H,5-9H2,1-4H3
InChIKeySIDRTZCHMRPGKZ-UHFFFAOYSA-N
XLogP2.29
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperidin-1-yl)-2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone?
The IUPAC name of 1-(4-methylpiperidin-1-yl)-2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone (CID 1451354) is 1-(4-methylpiperidin-1-yl)-2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone.
What is the SMILES notation for 1-(4-methylpiperidin-1-yl)-2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone?
The canonical SMILES for 1-(4-methylpiperidin-1-yl)-2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone is CC1CCN(C(=O)CSc2nnc(C(C)C)n2C)CC1.
What is the InChIKey of 1-(4-methylpiperidin-1-yl)-2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone?
The InChIKey is SIDRTZCHMRPGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4OS/c1-10(2)13-15-16-14(17(13)4)20-9-12(19)18-7-5-11(3)6-8-18/h10-11H,5-9H2,1-4H3.
What are the key properties of 1-(4-methylpiperidin-1-yl)-2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone?
1-(4-methylpiperidin-1-yl)-2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone has a molecular weight of 296.44 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidin-1-yl)-2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone is sourced from PubChem (CID 1451354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).