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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[[4-[3-(4-fluorophenyl)propyl]piperidin-1-yl]methyl]cyclopentyl]-N-methylbenzenesulfinamide
CID 142032852
N-(3-benzyl-1,5-dimethylpyrazol-4-yl)-4-[3-(1-methylpiperidin-4-yl)propyl]benzenesulfinamide
CID 58561305
2-[methyl-[(3R)-3-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]amino]acetic acid
CID 153052530
2-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 51287553
[2,6-dichloro-4-[3-(1-methylpiperidin-4-yl)propyl]phenyl]-[ethyl-(1,3,5-trimethylpyrazol-4-yl)amino]-hydroxysulfanium
CID 143952116
benzene;2-[cyclopentylmethyl-[3-[[4-[3-(4-methylphenyl)propyl]piperidin-1-yl]methyl]cyclopentyl]amino]acetic acid
CID 142033383
benzene;N-methyl-N-[3-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]cyclohexanamine
CID 142033004
1-hexyl-4-[3-(4-methylphenyl)propyl]piperidine
CID 86175375
benzene;2-[cyclohexyl-[(3R)-3-[[4-[3-(4-methylphenyl)propyl]piperidin-1-yl]methyl]cyclopentyl]amino]acetic acid
CID 142033378
benzene;benzyl N-methyl-N-[3-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]carbamate
CID 142032996
methyl N-cyclobutyl-N-[3-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]carbamate
CID 142032884
4-(3-phenylpropyl)-1-[4-[4-(3-phenylpropyl)piperidin-1-yl]butyl]piperidine;dihydrochloride
CID 70096793

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).