4-[3-[1-(cyclopropylmethyl)piperidin-4-yl]propyl]-N-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfinamide

C25H38N4OS — CID 129173677

IUPAC4-[3-[1-(cyclopropylmethyl)piperidin-4-yl]propyl]-N-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfinamide
SMILESCc1nn(C)c(C)c1N(C)S(=O)c1ccc(CCCC2CCN(CC3CC3)CC2)cc1
InChIInChI=1S/C25H38N4OS/c1-19-25(20(2)27(3)26-19)28(4)31(30)24-12-10-21(11-13-24)6-5-7-22-14-16-29(17-15-22)18-23-8-9-23/h10-13,22-23H,5-9,14-18H2,1-4H3
InChIKeyDFZLTOUYPKYJNE-UHFFFAOYSA-N
MW442.67 g/mol
LogP4.64
Rot. Bonds9

About 4-[3-[1-(cyclopropylmethyl)piperidin-4-yl]propyl]-N-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfinamide

4-[3-[1-(cyclopropylmethyl)piperidin-4-yl]propyl]-N-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfinamide (PubChem CID 129173677) has the molecular formula C25H38N4OS and a molecular weight of 442.67 g/mol. Its IUPAC name is 4-[3-[1-(cyclopropylmethyl)piperidin-4-yl]propyl]-N-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfinamide.

Molecular Properties

Compound Name4-[3-[1-(cyclopropylmethyl)piperidin-4-yl]propyl]-N-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfinamide
PubChem CID129173677
Molecular FormulaC25H38N4OS
Molecular Weight442.67 g/mol
Exact Mass442.28
IUPAC Name4-[3-[1-(cyclopropylmethyl)piperidin-4-yl]propyl]-N-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfinamide
SMILESCc1nn(C)c(C)c1N(C)S(=O)c1ccc(CCCC2CCN(CC3CC3)CC2)cc1
InChIInChI=1S/C25H38N4OS/c1-19-25(20(2)27(3)26-19)28(4)31(30)24-12-10-21(11-13-24)6-5-7-22-14-16-29(17-15-22)18-23-8-9-23/h10-13,22-23H,5-9,14-18H2,1-4H3
InChIKeyDFZLTOUYPKYJNE-UHFFFAOYSA-N
XLogP4.64
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.67
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[1-(cyclopropylmethyl)piperidin-4-yl]propyl]-N-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfinamide?
The IUPAC name of 4-[3-[1-(cyclopropylmethyl)piperidin-4-yl]propyl]-N-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfinamide (CID 129173677) is 4-[3-[1-(cyclopropylmethyl)piperidin-4-yl]propyl]-N-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfinamide.
What is the SMILES notation for 4-[3-[1-(cyclopropylmethyl)piperidin-4-yl]propyl]-N-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfinamide?
The canonical SMILES for 4-[3-[1-(cyclopropylmethyl)piperidin-4-yl]propyl]-N-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfinamide is Cc1nn(C)c(C)c1N(C)S(=O)c1ccc(CCCC2CCN(CC3CC3)CC2)cc1.
What is the InChIKey of 4-[3-[1-(cyclopropylmethyl)piperidin-4-yl]propyl]-N-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfinamide?
The InChIKey is DFZLTOUYPKYJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N4OS/c1-19-25(20(2)27(3)26-19)28(4)31(30)24-12-10-21(11-13-24)6-5-7-22-14-16-29(17-15-22)18-23-8-9-23/h10-13,22-23H,5-9,14-18H2,1-4H3.
What are the key properties of 4-[3-[1-(cyclopropylmethyl)piperidin-4-yl]propyl]-N-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfinamide?
4-[3-[1-(cyclopropylmethyl)piperidin-4-yl]propyl]-N-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfinamide has a molecular weight of 442.67 g/mol, XLogP of 4.64, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[1-(cyclopropylmethyl)piperidin-4-yl]propyl]-N-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfinamide is sourced from PubChem (CID 129173677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).