N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide

C15H22N2O3S — CID 2537450

IUPACN-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
SMILESCC1CCN(C(=O)CCNS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C15H22N2O3S/c1-13-8-11-17(12-9-13)15(18)7-10-16-21(19,20)14-5-3-2-4-6-14/h2-6,13,16H,7-12H2,1H3
InChIKeyKTWGQSWVCWQAGU-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.61
Rot. Bonds5

About N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide

N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide (PubChem CID 2537450) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
PubChem CID2537450
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
SMILESCC1CCN(C(=O)CCNS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C15H22N2O3S/c1-13-8-11-17(12-9-13)15(18)7-10-16-21(19,20)14-5-3-2-4-6-14/h2-6,13,16H,7-12H2,1H3
InChIKeyKTWGQSWVCWQAGU-UHFFFAOYSA-N
XLogP1.61
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
CID 29262191
N-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 119647023
4-methyl-N-[4-(4-methylpiperidin-1-yl)-4-oxobutyl]benzenesulfonamide
CID 3160566
N-[3-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 46412219
N-[3-[4-(benzenesulfonyl)piperidin-1-yl]-3-oxopropyl]-4-tert-butylbenzenesulfonamide
CID 90589242
N-[3-[3-(aminomethyl)pyrrolidin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 119485949
N-[2-(benzenesulfonamido)ethyl]-N',4-dimethylpiperidine-1-carboximidamide
CID 111211789
(2R,3R)-1-[3-(benzenesulfonamido)propanoyl]-2-methylpiperidine-3-carboxylic acid
CID 122114835
N-[1-[3-[(4-bromophenyl)sulfonylamino]propanoyl]piperidin-4-yl]benzamide
CID 37019523
N-cyclopropyl-N-[1-[4-(4-methylpiperidin-1-yl)-4-oxobutanoyl]piperidin-4-yl]benzenesulfonamide
CID 5173746
3-(benzenesulfonamido)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanamide
CID 60517587
2-[1-[3-[(4-fluorophenyl)sulfonylamino]propanoyl]piperidin-4-yl]acetic acid
CID 119178388

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide?
The IUPAC name of N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide (CID 2537450) is N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide.
What is the SMILES notation for N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide?
The canonical SMILES for N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide is CC1CCN(C(=O)CCNS(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide?
The InChIKey is KTWGQSWVCWQAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-13-8-11-17(12-9-13)15(18)7-10-16-21(19,20)14-5-3-2-4-6-14/h2-6,13,16H,7-12H2,1H3.
What are the key properties of N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide?
N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide has a molecular weight of 310.42 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide is sourced from PubChem (CID 2537450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).