N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1-[(3S)-oxolan-3-yl]methanesulfonamide

C17H25ClN2O3S — CID 171352805

IUPACN-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1-[(3S)-oxolan-3-yl]methanesulfonamide
SMILESO=S(=O)(C[C@H]1CCOC1)NC1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H25ClN2O3S/c18-16-3-1-14(2-4-16)11-20-8-5-17(6-9-20)19-24(21,22)13-15-7-10-23-12-15/h1-4,15,17,19H,5-13H2/t15-/m0/s1
InChIKeyYQSUDDTVYWTAAL-HNNXBMFYSA-N
MW372.92 g/mol
LogP2.26
Rot. Bonds6

About N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1-[(3S)-oxolan-3-yl]methanesulfonamide

N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1-[(3S)-oxolan-3-yl]methanesulfonamide (PubChem CID 171352805) has the molecular formula C17H25ClN2O3S and a molecular weight of 372.92 g/mol. Its IUPAC name is N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1-[(3S)-oxolan-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1-[(3S)-oxolan-3-yl]methanesulfonamide
PubChem CID171352805
Molecular FormulaC17H25ClN2O3S
Molecular Weight372.92 g/mol
Exact Mass372.13
IUPAC NameN-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1-[(3S)-oxolan-3-yl]methanesulfonamide
SMILESO=S(=O)(C[C@H]1CCOC1)NC1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H25ClN2O3S/c18-16-3-1-14(2-4-16)11-20-8-5-17(6-9-20)19-24(21,22)13-15-7-10-23-12-15/h1-4,15,17,19H,5-13H2/t15-/m0/s1
InChIKeyYQSUDDTVYWTAAL-HNNXBMFYSA-N
XLogP2.26
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.92
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,5S)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3,5-dimethylpiperidine-1-sulfonamide
CID 39983032
N-[2-(4-aminophenyl)ethyl]-1-(oxolan-3-yl)methanesulfonamide
CID 120715714
N-[2-(4-aminophenyl)ethyl]-1-(oxolan-3-yl)methanesulfonamide;hydrochloride
CID 120715713
N-[(4-chlorophenyl)-(2-methylcyclopropyl)methyl]-1-(oxolan-3-yl)methanesulfonamide
CID 71997249
2-amino-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120797287
2-(oxolan-3-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 131902739
N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]methanesulfonamide
CID 95141176
1-[(4-bromophenyl)methyl]-N-(oxolan-3-yl)piperidin-4-amine
CID 71969177
(3S,4S)-3-[(4-chlorophenyl)methyl]-N-cyclopropyloxane-4-sulfonamide
CID 97166602
(3R,4R)-3-[(4-chlorophenyl)methyl]-N-cyclopropyloxane-4-sulfonamide
CID 97166603
N-[1-(4-chloro-2-fluorophenyl)-2-methylpropyl]-1-(oxolan-3-yl)methanesulfonamide
CID 75519267
4-chloro-N-[1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]benzenesulfonamide
CID 25037622

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1-[(3S)-oxolan-3-yl]methanesulfonamide?
The IUPAC name of N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1-[(3S)-oxolan-3-yl]methanesulfonamide (CID 171352805) is N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1-[(3S)-oxolan-3-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1-[(3S)-oxolan-3-yl]methanesulfonamide?
The canonical SMILES for N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1-[(3S)-oxolan-3-yl]methanesulfonamide is O=S(=O)(C[C@H]1CCOC1)NC1CCN(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1-[(3S)-oxolan-3-yl]methanesulfonamide?
The InChIKey is YQSUDDTVYWTAAL-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H25ClN2O3S/c18-16-3-1-14(2-4-16)11-20-8-5-17(6-9-20)19-24(21,22)13-15-7-10-23-12-15/h1-4,15,17,19H,5-13H2/t15-/m0/s1.
What are the key properties of N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1-[(3S)-oxolan-3-yl]methanesulfonamide?
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1-[(3S)-oxolan-3-yl]methanesulfonamide has a molecular weight of 372.92 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1-[(3S)-oxolan-3-yl]methanesulfonamide is sourced from PubChem (CID 171352805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).