3-[3-(methylamino)piperidin-1-yl]-N-(3-sulfamoylphenyl)propanamide;hydrochloride

C15H25ClN4O3S — CID 119919395

IUPAC3-[3-(methylamino)piperidin-1-yl]-N-(3-sulfamoylphenyl)propanamide;hydrochloride
SMILESCNC1CCCN(CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C1.Cl
InChIInChI=1S/C15H24N4O3S.ClH/c1-17-13-5-3-8-19(11-13)9-7-15(20)18-12-4-2-6-14(10-12)23(16,21)22;/h2,4,6,10,13,17H,3,5,7-9,11H2,1H3,(H,18,20)(H2,16,21,22);1H
InChIKeyYCCVJVYVHIPDNU-UHFFFAOYSA-N
MW376.91 g/mol
LogP0.77
Rot. Bonds6

About 3-[3-(methylamino)piperidin-1-yl]-N-(3-sulfamoylphenyl)propanamide;hydrochloride

3-[3-(methylamino)piperidin-1-yl]-N-(3-sulfamoylphenyl)propanamide;hydrochloride (PubChem CID 119919395) has the molecular formula C15H25ClN4O3S and a molecular weight of 376.91 g/mol. Its IUPAC name is 3-[3-(methylamino)piperidin-1-yl]-N-(3-sulfamoylphenyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-[3-(methylamino)piperidin-1-yl]-N-(3-sulfamoylphenyl)propanamide;hydrochloride
PubChem CID119919395
Molecular FormulaC15H25ClN4O3S
Molecular Weight376.91 g/mol
Exact Mass376.13
IUPAC Name3-[3-(methylamino)piperidin-1-yl]-N-(3-sulfamoylphenyl)propanamide;hydrochloride
SMILESCNC1CCCN(CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C1.Cl
InChIInChI=1S/C15H24N4O3S.ClH/c1-17-13-5-3-8-19(11-13)9-7-15(20)18-12-4-2-6-14(10-12)23(16,21)22;/h2,4,6,10,13,17H,3,5,7-9,11H2,1H3,(H,18,20)(H2,16,21,22);1H
InChIKeyYCCVJVYVHIPDNU-UHFFFAOYSA-N
XLogP0.77
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.91
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(methylamino)piperidin-1-yl]-N-(3-methylphenyl)butanamide
CID 62546343
2-[3-(methylamino)piperidin-1-yl]-N-(3-sulfamoylphenyl)propanamide;hydrochloride
CID 119918280
3-[(3R)-3-(methanesulfonamido)piperidin-1-yl]-N-phenylpropanamide
CID 95159240
3-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-N-(3-sulfamoylphenyl)propanamide
CID 86952115
N-(4-acetylphenyl)-3-[3-(methylamino)piperidin-1-yl]propanamide
CID 119919130
3-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]-N-(3-sulfamoylphenyl)propanamide
CID 56526295
N-(3-iodophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119919334
3-methyl-N-(3-sulfamoylphenyl)piperidine-1-carboxamide
CID 47185999
(3S)-3-methyl-N-(3-sulfamoylphenyl)piperidine-1-carboxamide
CID 38150508
3-[(3R)-2,2-dimethyl-3-(trifluoromethyl)pyrrolidin-1-yl]-N-(3-sulfamoylphenyl)propanamide
CID 124728461
N-(3-methylphenyl)-3-(3-methylpiperidin-1-yl)propanamide;hydrochloride
CID 24747038
N-(3-chlorophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62545829

Frequently Asked Questions

What is the IUPAC name of 3-[3-(methylamino)piperidin-1-yl]-N-(3-sulfamoylphenyl)propanamide;hydrochloride?
The IUPAC name of 3-[3-(methylamino)piperidin-1-yl]-N-(3-sulfamoylphenyl)propanamide;hydrochloride (CID 119919395) is 3-[3-(methylamino)piperidin-1-yl]-N-(3-sulfamoylphenyl)propanamide;hydrochloride.
What is the SMILES notation for 3-[3-(methylamino)piperidin-1-yl]-N-(3-sulfamoylphenyl)propanamide;hydrochloride?
The canonical SMILES for 3-[3-(methylamino)piperidin-1-yl]-N-(3-sulfamoylphenyl)propanamide;hydrochloride is CNC1CCCN(CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C1.Cl.
What is the InChIKey of 3-[3-(methylamino)piperidin-1-yl]-N-(3-sulfamoylphenyl)propanamide;hydrochloride?
The InChIKey is YCCVJVYVHIPDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3S.ClH/c1-17-13-5-3-8-19(11-13)9-7-15(20)18-12-4-2-6-14(10-12)23(16,21)22;/h2,4,6,10,13,17H,3,5,7-9,11H2,1H3,(H,18,20)(H2,16,21,22);1H.
What are the key properties of 3-[3-(methylamino)piperidin-1-yl]-N-(3-sulfamoylphenyl)propanamide;hydrochloride?
3-[3-(methylamino)piperidin-1-yl]-N-(3-sulfamoylphenyl)propanamide;hydrochloride has a molecular weight of 376.91 g/mol, XLogP of 0.77, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(methylamino)piperidin-1-yl]-N-(3-sulfamoylphenyl)propanamide;hydrochloride is sourced from PubChem (CID 119919395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).