N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrrolidine-1-sulfonamide;hydrochloride

C10H20ClN3O2S — CID 120721467

IUPACN-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrrolidine-1-sulfonamide;hydrochloride
SMILESCl.O=S(=O)(NCC1=CCNCC1)N1CCCC1
InChIInChI=1S/C10H19N3O2S.ClH/c14-16(15,13-7-1-2-8-13)12-9-10-3-5-11-6-4-10;/h3,11-12H,1-2,4-9H2;1H
InChIKeyRCGISXWUOAYILE-UHFFFAOYSA-N
MW281.81 g/mol
LogP0.26
Rot. Bonds4

About N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrrolidine-1-sulfonamide;hydrochloride

N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrrolidine-1-sulfonamide;hydrochloride (PubChem CID 120721467) has the molecular formula C10H20ClN3O2S and a molecular weight of 281.81 g/mol. Its IUPAC name is N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrrolidine-1-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrrolidine-1-sulfonamide;hydrochloride
PubChem CID120721467
Molecular FormulaC10H20ClN3O2S
Molecular Weight281.81 g/mol
Exact Mass281.10
IUPAC NameN-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrrolidine-1-sulfonamide;hydrochloride
SMILESCl.O=S(=O)(NCC1=CCNCC1)N1CCCC1
InChIInChI=1S/C10H19N3O2S.ClH/c14-16(15,13-7-1-2-8-13)12-9-10-3-5-11-6-4-10;/h3,11-12H,1-2,4-9H2;1H
InChIKeyRCGISXWUOAYILE-UHFFFAOYSA-N
XLogP0.26
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.81
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

methyl 1-(1,2,3,6-tetrahydropyridin-4-ylmethylsulfamoyl)piperidine-4-carboxylate
CID 114694302
4-[[[ethyl(methyl)sulfamoyl]amino]methyl]-1,2,3,6-tetrahydropyridine;hydrochloride
CID 120721128
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)azepane-1-sulfonamide;hydrochloride
CID 120724137
2-methoxy-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)ethanesulfonamide;hydrochloride
CID 120721104
N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-2,3-dihydro-1H-indene-5-sulfonamide;hydrochloride
CID 120721758
4-bromo-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzenesulfonamide
CID 114694326
N-benzylpiperidine-1-sulfonamide
CID 2989594
3-bromo-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzenesulfonamide;hydrochloride
CID 120721662
3,5-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]piperidine-1-sulfonamide
CID 107487775
1-(3-fluorophenyl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)methanesulfonamide;hydrochloride
CID 120721822
2-chloro-3-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzenesulfonamide;hydrochloride
CID 120721293
2-chloro-6-nitro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzenesulfonamide;hydrochloride
CID 120721321

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrrolidine-1-sulfonamide;hydrochloride?
The IUPAC name of N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrrolidine-1-sulfonamide;hydrochloride (CID 120721467) is N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrrolidine-1-sulfonamide;hydrochloride.
What is the SMILES notation for N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrrolidine-1-sulfonamide;hydrochloride?
The canonical SMILES for N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrrolidine-1-sulfonamide;hydrochloride is Cl.O=S(=O)(NCC1=CCNCC1)N1CCCC1.
What is the InChIKey of N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrrolidine-1-sulfonamide;hydrochloride?
The InChIKey is RCGISXWUOAYILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S.ClH/c14-16(15,13-7-1-2-8-13)12-9-10-3-5-11-6-4-10;/h3,11-12H,1-2,4-9H2;1H.
What are the key properties of N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrrolidine-1-sulfonamide;hydrochloride?
N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrrolidine-1-sulfonamide;hydrochloride has a molecular weight of 281.81 g/mol, XLogP of 0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrrolidine-1-sulfonamide;hydrochloride is sourced from PubChem (CID 120721467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).