N-(1-methylpyrazol-3-yl)-2-piperidin-4-ylsulfanylacetamide

C11H18N4OS — CID 114626846

IUPACN-(1-methylpyrazol-3-yl)-2-piperidin-4-ylsulfanylacetamide
SMILESCn1ccc(NC(=O)CSC2CCNCC2)n1
InChIInChI=1S/C11H18N4OS/c1-15-7-4-10(14-15)13-11(16)8-17-9-2-5-12-6-3-9/h4,7,9,12H,2-3,5-6,8H2,1H3,(H,13,14,16)
InChIKeyGSBNTCAPQXDUFF-UHFFFAOYSA-N
MW254.36 g/mol
LogP0.84
Rot. Bonds4

About N-(1-methylpyrazol-3-yl)-2-piperidin-4-ylsulfanylacetamide

N-(1-methylpyrazol-3-yl)-2-piperidin-4-ylsulfanylacetamide (PubChem CID 114626846) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is N-(1-methylpyrazol-3-yl)-2-piperidin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(1-methylpyrazol-3-yl)-2-piperidin-4-ylsulfanylacetamide
PubChem CID114626846
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC NameN-(1-methylpyrazol-3-yl)-2-piperidin-4-ylsulfanylacetamide
SMILESCn1ccc(NC(=O)CSC2CCNCC2)n1
InChIInChI=1S/C11H18N4OS/c1-15-7-4-10(14-15)13-11(16)8-17-9-2-5-12-6-3-9/h4,7,9,12H,2-3,5-6,8H2,1H3,(H,13,14,16)
InChIKeyGSBNTCAPQXDUFF-UHFFFAOYSA-N
XLogP0.84
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-3-yl)-2-piperidin-4-ylsulfanylacetamide?
The IUPAC name of N-(1-methylpyrazol-3-yl)-2-piperidin-4-ylsulfanylacetamide (CID 114626846) is N-(1-methylpyrazol-3-yl)-2-piperidin-4-ylsulfanylacetamide.
What is the SMILES notation for N-(1-methylpyrazol-3-yl)-2-piperidin-4-ylsulfanylacetamide?
The canonical SMILES for N-(1-methylpyrazol-3-yl)-2-piperidin-4-ylsulfanylacetamide is Cn1ccc(NC(=O)CSC2CCNCC2)n1.
What is the InChIKey of N-(1-methylpyrazol-3-yl)-2-piperidin-4-ylsulfanylacetamide?
The InChIKey is GSBNTCAPQXDUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-15-7-4-10(14-15)13-11(16)8-17-9-2-5-12-6-3-9/h4,7,9,12H,2-3,5-6,8H2,1H3,(H,13,14,16).
What are the key properties of N-(1-methylpyrazol-3-yl)-2-piperidin-4-ylsulfanylacetamide?
N-(1-methylpyrazol-3-yl)-2-piperidin-4-ylsulfanylacetamide has a molecular weight of 254.36 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-3-yl)-2-piperidin-4-ylsulfanylacetamide is sourced from PubChem (CID 114626846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).