N-(pyrrolidin-2-ylmethyl)pyrrolidine-1-sulfonamide;hydrochloride

C9H20ClN3O2S — CID 119974092

IUPACN-(pyrrolidin-2-ylmethyl)pyrrolidine-1-sulfonamide;hydrochloride
SMILESCl.O=S(=O)(NCC1CCCN1)N1CCCC1
InChIInChI=1S/C9H19N3O2S.ClH/c13-15(14,12-6-1-2-7-12)11-8-9-4-3-5-10-9;/h9-11H,1-8H2;1H
InChIKeyXNXAYFUMRJKRBZ-UHFFFAOYSA-N
MW269.80 g/mol
LogP0.09
Rot. Bonds4

About N-(pyrrolidin-2-ylmethyl)pyrrolidine-1-sulfonamide;hydrochloride

N-(pyrrolidin-2-ylmethyl)pyrrolidine-1-sulfonamide;hydrochloride (PubChem CID 119974092) has the molecular formula C9H20ClN3O2S and a molecular weight of 269.80 g/mol. Its IUPAC name is N-(pyrrolidin-2-ylmethyl)pyrrolidine-1-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(pyrrolidin-2-ylmethyl)pyrrolidine-1-sulfonamide;hydrochloride
PubChem CID119974092
Molecular FormulaC9H20ClN3O2S
Molecular Weight269.80 g/mol
Exact Mass269.10
IUPAC NameN-(pyrrolidin-2-ylmethyl)pyrrolidine-1-sulfonamide;hydrochloride
SMILESCl.O=S(=O)(NCC1CCCN1)N1CCCC1
InChIInChI=1S/C9H19N3O2S.ClH/c13-15(14,12-6-1-2-7-12)11-8-9-4-3-5-10-9;/h9-11H,1-8H2;1H
InChIKeyXNXAYFUMRJKRBZ-UHFFFAOYSA-N
XLogP0.09
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.80
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(pyrrolidin-2-ylmethyl)pyrrolidine-1-sulfonamide
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N-(2-pyrrolidin-2-ylethyl)azepane-1-sulfonamide
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N-(pyrrolidin-2-ylmethyl)methanesulfonamide
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N-[2-[(2R)-pyrrolidin-2-yl]ethyl]morpholine-4-sulfonamide;hydrochloride
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N-(pyrrolidin-2-ylmethyl)cyclopentanesulfonamide
CID 115752325
1-cyclohexyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide;hydrochloride
CID 119974331
1-cyclopentyl-N-[[(2R)-pyrrolidin-2-yl]methyl]methanesulfonamide
CID 121497367
N-[(3,3-dimethylpiperidin-2-yl)methyl]pyrrolidine-1-sulfonamide
CID 114083940
2,3-dichloro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
CID 119974073
N-[(2-hydroxycyclohexyl)methyl]piperidine-1-sulfonamide
CID 64910982
1-(oxolan-2-yl)-N-(pyrrolidin-2-ylmethyl)methanesulfonamide;hydrochloride
CID 119974117

Frequently Asked Questions

What is the IUPAC name of N-(pyrrolidin-2-ylmethyl)pyrrolidine-1-sulfonamide;hydrochloride?
The IUPAC name of N-(pyrrolidin-2-ylmethyl)pyrrolidine-1-sulfonamide;hydrochloride (CID 119974092) is N-(pyrrolidin-2-ylmethyl)pyrrolidine-1-sulfonamide;hydrochloride.
What is the SMILES notation for N-(pyrrolidin-2-ylmethyl)pyrrolidine-1-sulfonamide;hydrochloride?
The canonical SMILES for N-(pyrrolidin-2-ylmethyl)pyrrolidine-1-sulfonamide;hydrochloride is Cl.O=S(=O)(NCC1CCCN1)N1CCCC1.
What is the InChIKey of N-(pyrrolidin-2-ylmethyl)pyrrolidine-1-sulfonamide;hydrochloride?
The InChIKey is XNXAYFUMRJKRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2S.ClH/c13-15(14,12-6-1-2-7-12)11-8-9-4-3-5-10-9;/h9-11H,1-8H2;1H.
What are the key properties of N-(pyrrolidin-2-ylmethyl)pyrrolidine-1-sulfonamide;hydrochloride?
N-(pyrrolidin-2-ylmethyl)pyrrolidine-1-sulfonamide;hydrochloride has a molecular weight of 269.80 g/mol, XLogP of 0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyrrolidin-2-ylmethyl)pyrrolidine-1-sulfonamide;hydrochloride is sourced from PubChem (CID 119974092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).