N-cyclopentyl-3-[3-(methylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride

C19H30ClN3O3S — CID 119394896

IUPACN-cyclopentyl-3-[3-(methylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride
SMILESCNCC1CCCN(C(=O)c2cccc(S(=O)(=O)NC3CCCC3)c2)C1.Cl
InChIInChI=1S/C19H29N3O3S.ClH/c1-20-13-15-6-5-11-22(14-15)19(23)16-7-4-10-18(12-16)26(24,25)21-17-8-2-3-9-17;/h4,7,10,12,15,17,20-21H,2-3,5-6,8-9,11,13-14H2,1H3;1H
InChIKeyLQJOSOGNGJMSDC-UHFFFAOYSA-N
MW415.99 g/mol
LogP2.40
Rot. Bonds6

About N-cyclopentyl-3-[3-(methylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride

N-cyclopentyl-3-[3-(methylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride (PubChem CID 119394896) has the molecular formula C19H30ClN3O3S and a molecular weight of 415.99 g/mol. Its IUPAC name is N-cyclopentyl-3-[3-(methylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-cyclopentyl-3-[3-(methylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride
PubChem CID119394896
Molecular FormulaC19H30ClN3O3S
Molecular Weight415.99 g/mol
Exact Mass415.17
IUPAC NameN-cyclopentyl-3-[3-(methylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride
SMILESCNCC1CCCN(C(=O)c2cccc(S(=O)(=O)NC3CCCC3)c2)C1.Cl
InChIInChI=1S/C19H29N3O3S.ClH/c1-20-13-15-6-5-11-22(14-15)19(23)16-7-4-10-18(12-16)26(24,25)21-17-8-2-3-9-17;/h4,7,10,12,15,17,20-21H,2-3,5-6,8-9,11,13-14H2,1H3;1H
InChIKeyLQJOSOGNGJMSDC-UHFFFAOYSA-N
XLogP2.40
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.99
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(methylaminomethyl)piperidin-1-yl]-(3-methylsulfonylphenyl)methanone
CID 61205641
3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-cyclopentylbenzenesulfonamide;hydrochloride
CID 119409335
N,N-diethyl-3-[3-(methylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride
CID 119396973
N-methyl-3-[3-(methylaminomethyl)piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
CID 119396945
(3-iodophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119395286
(3-hydroxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61204151
1-[3-(cyclopentylsulfamoyl)benzoyl]pyrrolidine-3-carboxylic acid
CID 119354621
N-(cyclopropylmethyl)-3-(3-ethylpiperidine-1-carbonyl)benzenesulfonamide
CID 55655065
N-cyclohexyl-3-(4-ethylpiperazine-1-carbonyl)benzenesulfonamide
CID 109063351
(3-ethoxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119397688
1-[3-(cyclopentylsulfamoyl)benzoyl]-N-phenylpiperidine-3-carboxamide
CID 46578445
[3-(methylaminomethyl)piperidin-1-yl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone;dihydrochloride
CID 119398103

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-[3-(methylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride?
The IUPAC name of N-cyclopentyl-3-[3-(methylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride (CID 119394896) is N-cyclopentyl-3-[3-(methylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for N-cyclopentyl-3-[3-(methylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride?
The canonical SMILES for N-cyclopentyl-3-[3-(methylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride is CNCC1CCCN(C(=O)c2cccc(S(=O)(=O)NC3CCCC3)c2)C1.Cl.
What is the InChIKey of N-cyclopentyl-3-[3-(methylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride?
The InChIKey is LQJOSOGNGJMSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3S.ClH/c1-20-13-15-6-5-11-22(14-15)19(23)16-7-4-10-18(12-16)26(24,25)21-17-8-2-3-9-17;/h4,7,10,12,15,17,20-21H,2-3,5-6,8-9,11,13-14H2,1H3;1H.
What are the key properties of N-cyclopentyl-3-[3-(methylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride?
N-cyclopentyl-3-[3-(methylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride has a molecular weight of 415.99 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-[3-(methylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 119394896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).