[1-(4-methylphenyl)sulfonylcyclopropyl]-(2-methylpiperidin-1-yl)methanone

C17H23NO3S — CID 3238472

IUPAC[1-(4-methylphenyl)sulfonylcyclopropyl]-(2-methylpiperidin-1-yl)methanone
SMILESCc1ccc(S(=O)(=O)C2(C(=O)N3CCCCC3C)CC2)cc1
InChIInChI=1S/C17H23NO3S/c1-13-6-8-15(9-7-13)22(20,21)17(10-11-17)16(19)18-12-4-3-5-14(18)2/h6-9,14H,3-5,10-12H2,1-2H3
InChIKeySZRBDWQUVIMHOP-UHFFFAOYSA-N
MW321.44 g/mol
LogP2.70
Rot. Bonds3

About [1-(4-methylphenyl)sulfonylcyclopropyl]-(2-methylpiperidin-1-yl)methanone

[1-(4-methylphenyl)sulfonylcyclopropyl]-(2-methylpiperidin-1-yl)methanone (PubChem CID 3238472) has the molecular formula C17H23NO3S and a molecular weight of 321.44 g/mol. Its IUPAC name is [1-(4-methylphenyl)sulfonylcyclopropyl]-(2-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(4-methylphenyl)sulfonylcyclopropyl]-(2-methylpiperidin-1-yl)methanone
PubChem CID3238472
Molecular FormulaC17H23NO3S
Molecular Weight321.44 g/mol
Exact Mass321.14
IUPAC Name[1-(4-methylphenyl)sulfonylcyclopropyl]-(2-methylpiperidin-1-yl)methanone
SMILESCc1ccc(S(=O)(=O)C2(C(=O)N3CCCCC3C)CC2)cc1
InChIInChI=1S/C17H23NO3S/c1-13-6-8-15(9-7-13)22(20,21)17(10-11-17)16(19)18-12-4-3-5-14(18)2/h6-9,14H,3-5,10-12H2,1-2H3
InChIKeySZRBDWQUVIMHOP-UHFFFAOYSA-N
XLogP2.70
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.44
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Benzylsulfonyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 1094083
3-Methyl-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 717239
1-[(4-methylphenyl)sulfonyl]-N-(2-phenylethyl)cyclopropanecarboxamide
CID 4110790
N~1~-Cyclohexyl-1-[(4-methylphenyl)sulfonyl]-1-cyclopropanecarboxamide
CID 3434568
N-cyclohexyl-3-(4-methylphenyl)sulfonylpropanamide
CID 759090
4-Methylphenyl 3-(4-methyl-1-piperidinyl)-3-oxopropyl sulfide
CID 900529
4,6-dimethyl-3-[(4-methylphenyl)sulfonyl]-1-(2-methyl-2-propenyl)-2(1H)-pyridinone
CID 1483839
1-({1-[(4-Methylphenyl)sulfonyl]cyclopropyl}carbonyl)azepane
CID 3239091
N-cyclopentyl-1-[(4-methylphenyl)sulfonyl]cyclopropanecarboxamide
CID 3241615
1-Cyclohexyl-4-({1-[(4-methylphenyl)sulfonyl]cyclopropyl}carbonyl)piperazine
CID 3242304
N-[2-(cyclohexen-1-yl)ethyl]-3-(4-methylphenyl)sulfonylpropanamide
CID 4547646
N-(1,1-dioxothiolan-3-yl)-N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 5243057

Frequently Asked Questions

What is the IUPAC name of [1-(4-methylphenyl)sulfonylcyclopropyl]-(2-methylpiperidin-1-yl)methanone?
The IUPAC name of [1-(4-methylphenyl)sulfonylcyclopropyl]-(2-methylpiperidin-1-yl)methanone (CID 3238472) is [1-(4-methylphenyl)sulfonylcyclopropyl]-(2-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [1-(4-methylphenyl)sulfonylcyclopropyl]-(2-methylpiperidin-1-yl)methanone?
The canonical SMILES for [1-(4-methylphenyl)sulfonylcyclopropyl]-(2-methylpiperidin-1-yl)methanone is Cc1ccc(S(=O)(=O)C2(C(=O)N3CCCCC3C)CC2)cc1.
What is the InChIKey of [1-(4-methylphenyl)sulfonylcyclopropyl]-(2-methylpiperidin-1-yl)methanone?
The InChIKey is SZRBDWQUVIMHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3S/c1-13-6-8-15(9-7-13)22(20,21)17(10-11-17)16(19)18-12-4-3-5-14(18)2/h6-9,14H,3-5,10-12H2,1-2H3.
What are the key properties of [1-(4-methylphenyl)sulfonylcyclopropyl]-(2-methylpiperidin-1-yl)methanone?
[1-(4-methylphenyl)sulfonylcyclopropyl]-(2-methylpiperidin-1-yl)methanone has a molecular weight of 321.44 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methylphenyl)sulfonylcyclopropyl]-(2-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 3238472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).