N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]cyclopropanesulfonamide

C16H24N2O2S — CID 146074496

IUPACN-[1-[(3-methylphenyl)methyl]piperidin-4-yl]cyclopropanesulfonamide
SMILESCc1cccc(CN2CCC(NS(=O)(=O)C3CC3)CC2)c1
InChIInChI=1S/C16H24N2O2S/c1-13-3-2-4-14(11-13)12-18-9-7-15(8-10-18)17-21(19,20)16-5-6-16/h2-4,11,15-17H,5-10,12H2,1H3
InChIKeyGWDPZUCPJKDLAF-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.04
Rot. Bonds5

About N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]cyclopropanesulfonamide

N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]cyclopropanesulfonamide (PubChem CID 146074496) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[1-[(3-methylphenyl)methyl]piperidin-4-yl]cyclopropanesulfonamide
PubChem CID146074496
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC NameN-[1-[(3-methylphenyl)methyl]piperidin-4-yl]cyclopropanesulfonamide
SMILESCc1cccc(CN2CCC(NS(=O)(=O)C3CC3)CC2)c1
InChIInChI=1S/C16H24N2O2S/c1-13-3-2-4-14(11-13)12-18-9-7-15(8-10-18)17-21(19,20)16-5-6-16/h2-4,11,15-17H,5-10,12H2,1H3
InChIKeyGWDPZUCPJKDLAF-UHFFFAOYSA-N
XLogP2.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]cyclopropanesulfonamide
CID 163349558
(2R)-2-methoxy-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]propane-1-sulfonamide
CID 124735855
1-(4-hydroxycyclohexyl)-3-[1-[(3-methylphenyl)methyl]piperidin-4-yl]urea
CID 110892524
N-cyclopentyl-4-[4-[(3-methylphenyl)methyl]piperazin-1-yl]sulfonylbenzenesulfonamide
CID 25040953
N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]cyclopropanamine
CID 62593278
N-[(3-methylphenyl)methyl]cyclopropanesulfonamide
CID 118928947
1-[(3-methylphenyl)methyl]-4-propan-2-ylpiperidine
CID 153136361
N-(1-benzylpiperidin-4-yl)-2-(3-methylphenyl)acetamide
CID 6465155
N-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]cyclopropanesulfonamide
CID 154580808
N-(3-bromophenyl)-1-[(3-methylphenyl)methyl]piperidin-4-amine
CID 4035657
2-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-5-methylsulfonylbenzamide
CID 55745159
N-(1-ethylpiperidin-4-yl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 30728730

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]cyclopropanesulfonamide?
The IUPAC name of N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]cyclopropanesulfonamide (CID 146074496) is N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]cyclopropanesulfonamide.
What is the SMILES notation for N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]cyclopropanesulfonamide?
The canonical SMILES for N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]cyclopropanesulfonamide is Cc1cccc(CN2CCC(NS(=O)(=O)C3CC3)CC2)c1.
What is the InChIKey of N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]cyclopropanesulfonamide?
The InChIKey is GWDPZUCPJKDLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-13-3-2-4-14(11-13)12-18-9-7-15(8-10-18)17-21(19,20)16-5-6-16/h2-4,11,15-17H,5-10,12H2,1H3.
What are the key properties of N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]cyclopropanesulfonamide?
N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]cyclopropanesulfonamide has a molecular weight of 308.45 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]cyclopropanesulfonamide is sourced from PubChem (CID 146074496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).