N-[1-[[3-[1-(4-chlorophenyl)cyclopropyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]benzenesulfinamide

C23H25ClN4O2S — CID 143660616

IUPACN-[1-[[3-[1-(4-chlorophenyl)cyclopropyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]benzenesulfinamide
SMILESO=S(NC1CCN(Cc2nc(C3(c4ccc(Cl)cc4)CC3)no2)CC1)c1ccccc1
InChIInChI=1S/C23H25ClN4O2S/c24-18-8-6-17(7-9-18)23(12-13-23)22-25-21(30-26-22)16-28-14-10-19(11-15-28)27-31(29)20-4-2-1-3-5-20/h1-9,19,27H,10-16H2
InChIKeyCHTYOMLIFNMAIA-UHFFFAOYSA-N
MW457.00 g/mol
LogP4.08
Rot. Bonds7

About N-[1-[[3-[1-(4-chlorophenyl)cyclopropyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]benzenesulfinamide

N-[1-[[3-[1-(4-chlorophenyl)cyclopropyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]benzenesulfinamide (PubChem CID 143660616) has the molecular formula C23H25ClN4O2S and a molecular weight of 457.00 g/mol. Its IUPAC name is N-[1-[[3-[1-(4-chlorophenyl)cyclopropyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]benzenesulfinamide.

Molecular Properties

Compound NameN-[1-[[3-[1-(4-chlorophenyl)cyclopropyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]benzenesulfinamide
PubChem CID143660616
Molecular FormulaC23H25ClN4O2S
Molecular Weight457.00 g/mol
Exact Mass456.14
IUPAC NameN-[1-[[3-[1-(4-chlorophenyl)cyclopropyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]benzenesulfinamide
SMILESO=S(NC1CCN(Cc2nc(C3(c4ccc(Cl)cc4)CC3)no2)CC1)c1ccccc1
InChIInChI=1S/C23H25ClN4O2S/c24-18-8-6-17(7-9-18)23(12-13-23)22-25-21(30-26-22)16-28-14-10-19(11-15-28)27-31(29)20-4-2-1-3-5-20/h1-9,19,27H,10-16H2
InChIKeyCHTYOMLIFNMAIA-UHFFFAOYSA-N
XLogP4.08
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.00
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-(4-fluorophenyl)cyclopropyl]-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
CID 143660624
3-[1-(4-methylphenyl)cyclopentyl]-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
CID 29085110
5-[[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]methyl]-3-(1-phenylcyclobutyl)-1,2,4-oxadiazole
CID 24896191
(3S)-N,N-diethyl-1-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 26316206
2-[[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetic acid
CID 104570752
[1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-phenylmethanol
CID 134056053
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride
CID 119926316
N-(1-benzylpiperidin-4-yl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 46857763
N-(5-chloro-2-phenoxyphenyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 38115243
[1-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-pyridin-2-ylmethanone
CID 45219214
1-[[3-[1-(4-fluorophenyl)cyclopropyl]-1,2,4-oxadiazol-5-yl]methyl]piperidine-2-carboxamide
CID 173138107
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-cycloheptylpiperidine-4-carboxamide
CID 38157346

Frequently Asked Questions

What is the IUPAC name of N-[1-[[3-[1-(4-chlorophenyl)cyclopropyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]benzenesulfinamide?
The IUPAC name of N-[1-[[3-[1-(4-chlorophenyl)cyclopropyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]benzenesulfinamide (CID 143660616) is N-[1-[[3-[1-(4-chlorophenyl)cyclopropyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]benzenesulfinamide.
What is the SMILES notation for N-[1-[[3-[1-(4-chlorophenyl)cyclopropyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]benzenesulfinamide?
The canonical SMILES for N-[1-[[3-[1-(4-chlorophenyl)cyclopropyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]benzenesulfinamide is O=S(NC1CCN(Cc2nc(C3(c4ccc(Cl)cc4)CC3)no2)CC1)c1ccccc1.
What is the InChIKey of N-[1-[[3-[1-(4-chlorophenyl)cyclopropyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]benzenesulfinamide?
The InChIKey is CHTYOMLIFNMAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O2S/c24-18-8-6-17(7-9-18)23(12-13-23)22-25-21(30-26-22)16-28-14-10-19(11-15-28)27-31(29)20-4-2-1-3-5-20/h1-9,19,27H,10-16H2.
What are the key properties of N-[1-[[3-[1-(4-chlorophenyl)cyclopropyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]benzenesulfinamide?
N-[1-[[3-[1-(4-chlorophenyl)cyclopropyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]benzenesulfinamide has a molecular weight of 457.00 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[3-[1-(4-chlorophenyl)cyclopropyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]benzenesulfinamide is sourced from PubChem (CID 143660616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).