N-methyl-4-[3-[3-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]benzenesulfonamide;hydrochloride

C17H28ClN3O3S — CID 119398091

IUPACN-methyl-4-[3-[3-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]benzenesulfonamide;hydrochloride
SMILESCNCC1CCCN(C(=O)CCc2ccc(S(=O)(=O)NC)cc2)C1.Cl
InChIInChI=1S/C17H27N3O3S.ClH/c1-18-12-15-4-3-11-20(13-15)17(21)10-7-14-5-8-16(9-6-14)24(22,23)19-2;/h5-6,8-9,15,18-19H,3-4,7,10-13H2,1-2H3;1H
InChIKeyRRFAKCKYMALTCS-UHFFFAOYSA-N
MW389.95 g/mol
LogP1.41
Rot. Bonds7

About N-methyl-4-[3-[3-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]benzenesulfonamide;hydrochloride

N-methyl-4-[3-[3-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]benzenesulfonamide;hydrochloride (PubChem CID 119398091) has the molecular formula C17H28ClN3O3S and a molecular weight of 389.95 g/mol. Its IUPAC name is N-methyl-4-[3-[3-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-4-[3-[3-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]benzenesulfonamide;hydrochloride
PubChem CID119398091
Molecular FormulaC17H28ClN3O3S
Molecular Weight389.95 g/mol
Exact Mass389.15
IUPAC NameN-methyl-4-[3-[3-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]benzenesulfonamide;hydrochloride
SMILESCNCC1CCCN(C(=O)CCc2ccc(S(=O)(=O)NC)cc2)C1.Cl
InChIInChI=1S/C17H27N3O3S.ClH/c1-18-12-15-4-3-11-20(13-15)17(21)10-7-14-5-8-16(9-6-14)24(22,23)19-2;/h5-6,8-9,15,18-19H,3-4,7,10-13H2,1-2H3;1H
InChIKeyRRFAKCKYMALTCS-UHFFFAOYSA-N
XLogP1.41
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.95
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-bromophenyl)-1-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
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1-[3-(methylaminomethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one;hydrochloride
CID 119260619
4-[3-(1,4-diazepan-1-yl)-3-oxopropyl]-N-methylbenzenesulfonamide;hydrochloride
CID 119417766
4-[3-[4-(cyclopropylmethyl)piperazin-1-yl]-3-oxopropyl]-N-methylbenzenesulfonamide
CID 55901390
4-[3-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-oxopropyl]-N-methylbenzenesulfonamide
CID 119624651
N-methyl-4-[3-oxo-3-(3-piperidin-1-ylazetidin-1-yl)propyl]benzenesulfonamide
CID 91786157
1-[3-(methylaminomethyl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 78981202
N,1-dimethyl-4-[3-[4-(methylsulfamoyl)phenyl]propanoyl]piperazine-2-carboxamide
CID 110085958
4-methoxy-N-[[(3R)-1-(3-pyridin-4-ylpropanoyl)piperidin-3-yl]methyl]benzenesulfonamide
CID 42198115
4-(3,4-difluorophenyl)-1-[3-(methylaminomethyl)piperidin-1-yl]butan-1-one;hydrochloride
CID 119396922
4-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-N-methylbenzenesulfonamide
CID 119520096
4-(3,4-dichlorophenyl)-1-[3-(methylaminomethyl)piperidin-1-yl]butan-1-one
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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[3-[3-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]benzenesulfonamide;hydrochloride?
The IUPAC name of N-methyl-4-[3-[3-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]benzenesulfonamide;hydrochloride (CID 119398091) is N-methyl-4-[3-[3-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for N-methyl-4-[3-[3-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]benzenesulfonamide;hydrochloride?
The canonical SMILES for N-methyl-4-[3-[3-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]benzenesulfonamide;hydrochloride is CNCC1CCCN(C(=O)CCc2ccc(S(=O)(=O)NC)cc2)C1.Cl.
What is the InChIKey of N-methyl-4-[3-[3-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]benzenesulfonamide;hydrochloride?
The InChIKey is RRFAKCKYMALTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3S.ClH/c1-18-12-15-4-3-11-20(13-15)17(21)10-7-14-5-8-16(9-6-14)24(22,23)19-2;/h5-6,8-9,15,18-19H,3-4,7,10-13H2,1-2H3;1H.
What are the key properties of N-methyl-4-[3-[3-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]benzenesulfonamide;hydrochloride?
N-methyl-4-[3-[3-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]benzenesulfonamide;hydrochloride has a molecular weight of 389.95 g/mol, XLogP of 1.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[3-[3-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 119398091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).