2-methylsulfanyl-1-[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]ethanone

C14H23N3OS — CID 156511021

IUPAC2-methylsulfanyl-1-[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]ethanone
SMILESCSCC(=O)N1CCC(n2cc(C(C)C)cn2)CC1
InChIInChI=1S/C14H23N3OS/c1-11(2)12-8-15-17(9-12)13-4-6-16(7-5-13)14(18)10-19-3/h8-9,11,13H,4-7,10H2,1-3H3
InChIKeyFYGFRQSHYWQIGV-UHFFFAOYSA-N
MW281.43 g/mol
LogP2.53
Rot. Bonds4

About 2-methylsulfanyl-1-[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]ethanone

2-methylsulfanyl-1-[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]ethanone (PubChem CID 156511021) has the molecular formula C14H23N3OS and a molecular weight of 281.43 g/mol. Its IUPAC name is 2-methylsulfanyl-1-[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-methylsulfanyl-1-[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]ethanone
PubChem CID156511021
Molecular FormulaC14H23N3OS
Molecular Weight281.43 g/mol
Exact Mass281.16
IUPAC Name2-methylsulfanyl-1-[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]ethanone
SMILESCSCC(=O)N1CCC(n2cc(C(C)C)cn2)CC1
InChIInChI=1S/C14H23N3OS/c1-11(2)12-8-15-17(9-12)13-4-6-16(7-5-13)14(18)10-19-3/h8-9,11,13H,4-7,10H2,1-3H3
InChIKeyFYGFRQSHYWQIGV-UHFFFAOYSA-N
XLogP2.53
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.43
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-1-[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-methylsulfanyl-1-[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]ethanone (CID 156511021) is 2-methylsulfanyl-1-[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-methylsulfanyl-1-[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-methylsulfanyl-1-[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]ethanone is CSCC(=O)N1CCC(n2cc(C(C)C)cn2)CC1.
What is the InChIKey of 2-methylsulfanyl-1-[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]ethanone?
The InChIKey is FYGFRQSHYWQIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-11(2)12-8-15-17(9-12)13-4-6-16(7-5-13)14(18)10-19-3/h8-9,11,13H,4-7,10H2,1-3H3.
What are the key properties of 2-methylsulfanyl-1-[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]ethanone?
2-methylsulfanyl-1-[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]ethanone has a molecular weight of 281.43 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-1-[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 156511021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).