N-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]pyridine-3-sulfonamide;dihydrochloride

C16H28Cl2N4O3S — CID 119647156

IUPACN-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]pyridine-3-sulfonamide;dihydrochloride
SMILESCCNCC1CCN(C(=O)CCNS(=O)(=O)c2cccnc2)CC1.Cl.Cl
InChIInChI=1S/C16H26N4O3S.2ClH/c1-2-17-12-14-6-10-20(11-7-14)16(21)5-9-19-24(22,23)15-4-3-8-18-13-15;;/h3-4,8,13-14,17,19H,2,5-7,9-12H2,1H3;2*1H
InChIKeyQKWSBFXFYQIAJJ-UHFFFAOYSA-N
MW427.40 g/mol
LogP1.44
Rot. Bonds8

About N-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]pyridine-3-sulfonamide;dihydrochloride

N-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]pyridine-3-sulfonamide;dihydrochloride (PubChem CID 119647156) has the molecular formula C16H28Cl2N4O3S and a molecular weight of 427.40 g/mol. Its IUPAC name is N-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]pyridine-3-sulfonamide;dihydrochloride.

Molecular Properties

Compound NameN-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]pyridine-3-sulfonamide;dihydrochloride
PubChem CID119647156
Molecular FormulaC16H28Cl2N4O3S
Molecular Weight427.40 g/mol
Exact Mass426.13
IUPAC NameN-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]pyridine-3-sulfonamide;dihydrochloride
SMILESCCNCC1CCN(C(=O)CCNS(=O)(=O)c2cccnc2)CC1.Cl.Cl
InChIInChI=1S/C16H26N4O3S.2ClH/c1-2-17-12-14-6-10-20(11-7-14)16(21)5-9-19-24(22,23)15-4-3-8-18-13-15;;/h3-4,8,13-14,17,19H,2,5-7,9-12H2,1H3;2*1H
InChIKeyQKWSBFXFYQIAJJ-UHFFFAOYSA-N
XLogP1.44
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.40
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 119647023
N-[3-[(3R)-3-aminopyrrolidin-1-yl]-3-oxopropyl]pyridine-3-sulfonamide
CID 119412199
N-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]-1,2-dimethylimidazole-4-sulfonamide
CID 119647259
N-[3-[4-(4-ethylbenzoyl)piperazin-1-yl]-3-oxopropyl]pyridine-3-sulfonamide
CID 31951447
N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
CID 2537450
N-[3-[4-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]-4-nitrobenzenesulfonamide;hydrochloride
CID 119543466
N-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]-2-phenylacetamide;hydrochloride
CID 119644211
4-ethyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 90521148
N-[3-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-3-oxopropyl]-3-methylbenzenesulfonamide
CID 119105507
N-[3-[3-(aminomethyl)pyrrolidin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 119485949
N-(cyclobutylmethyl)pyridine-3-sulfonamide
CID 47331342
N-propylpyridine-3-sulfonamide
CID 43258995

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]pyridine-3-sulfonamide;dihydrochloride?
The IUPAC name of N-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]pyridine-3-sulfonamide;dihydrochloride (CID 119647156) is N-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]pyridine-3-sulfonamide;dihydrochloride.
What is the SMILES notation for N-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]pyridine-3-sulfonamide;dihydrochloride?
The canonical SMILES for N-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]pyridine-3-sulfonamide;dihydrochloride is CCNCC1CCN(C(=O)CCNS(=O)(=O)c2cccnc2)CC1.Cl.Cl.
What is the InChIKey of N-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]pyridine-3-sulfonamide;dihydrochloride?
The InChIKey is QKWSBFXFYQIAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3S.2ClH/c1-2-17-12-14-6-10-20(11-7-14)16(21)5-9-19-24(22,23)15-4-3-8-18-13-15;;/h3-4,8,13-14,17,19H,2,5-7,9-12H2,1H3;2*1H.
What are the key properties of N-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]pyridine-3-sulfonamide;dihydrochloride?
N-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]pyridine-3-sulfonamide;dihydrochloride has a molecular weight of 427.40 g/mol, XLogP of 1.44, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]pyridine-3-sulfonamide;dihydrochloride is sourced from PubChem (CID 119647156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).