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

C17H27N3O3S — CID 119647023

IUPACN-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]benzenesulfonamide
SMILESCCNCC1CCN(C(=O)CCNS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C17H27N3O3S/c1-2-18-14-15-9-12-20(13-10-15)17(21)8-11-19-24(22,23)16-6-4-3-5-7-16/h3-7,15,18-19H,2,8-14H2,1H3
InChIKeyILXHFAHMZYWXAJ-UHFFFAOYSA-N
MW353.49 g/mol
LogP1.20
Rot. Bonds8

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

N-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]benzenesulfonamide (PubChem CID 119647023) has the molecular formula C17H27N3O3S and a molecular weight of 353.49 g/mol. Its IUPAC name is N-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]benzenesulfonamide
PubChem CID119647023
Molecular FormulaC17H27N3O3S
Molecular Weight353.49 g/mol
Exact Mass353.18
IUPAC NameN-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]benzenesulfonamide
SMILESCCNCC1CCN(C(=O)CCNS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C17H27N3O3S/c1-2-18-14-15-9-12-20(13-10-15)17(21)8-11-19-24(22,23)16-6-4-3-5-7-16/h3-7,15,18-19H,2,8-14H2,1H3
InChIKeyILXHFAHMZYWXAJ-UHFFFAOYSA-N
XLogP1.20
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]pyridine-3-sulfonamide;dihydrochloride
CID 119647156
N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
CID 2537450
N-[3-[3-(aminomethyl)pyrrolidin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 119485949
N-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]-2-phenylacetamide;hydrochloride
CID 119644211
2-[1-[3-[(4-fluorophenyl)sulfonylamino]propanoyl]piperidin-4-yl]acetic acid
CID 119178388
N-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]-1,2-dimethylimidazole-4-sulfonamide
CID 119647259
N-[3-[4-(benzenesulfonyl)piperidin-1-yl]-3-oxopropyl]-4-tert-butylbenzenesulfonamide
CID 90589242
N-[3-[4-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]-4-nitrobenzenesulfonamide;hydrochloride
CID 119543466
N-[3-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 46412219
N-[3-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-3-oxopropyl]-3-methylbenzenesulfonamide
CID 119105507
(2R,3R)-1-[3-(benzenesulfonamido)propanoyl]-2-methylpiperidine-3-carboxylic acid
CID 122114835
N-[3-(2-azabicyclo[2.2.1]heptan-2-yl)-3-oxopropyl]benzenesulfonamide
CID 51088688

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]benzenesulfonamide?
The IUPAC name of N-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]benzenesulfonamide (CID 119647023) is N-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]benzenesulfonamide.
What is the SMILES notation for N-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]benzenesulfonamide?
The canonical SMILES for N-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]benzenesulfonamide is CCNCC1CCN(C(=O)CCNS(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of N-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]benzenesulfonamide?
The InChIKey is ILXHFAHMZYWXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3S/c1-2-18-14-15-9-12-20(13-10-15)17(21)8-11-19-24(22,23)16-6-4-3-5-7-16/h3-7,15,18-19H,2,8-14H2,1H3.
What are the key properties of N-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]benzenesulfonamide?
N-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]benzenesulfonamide has a molecular weight of 353.49 g/mol, XLogP of 1.20, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]benzenesulfonamide is sourced from PubChem (CID 119647023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).