3-amino-N-methyl-N-propylpyrrolidine-1-sulfonamide;hydrochloride

C8H20ClN3O2S — CID 119971553

IUPAC3-amino-N-methyl-N-propylpyrrolidine-1-sulfonamide;hydrochloride
SMILESCCCN(C)S(=O)(=O)N1CCC(N)C1.Cl
InChIInChI=1S/C8H19N3O2S.ClH/c1-3-5-10(2)14(12,13)11-6-4-8(9)7-11;/h8H,3-7,9H2,1-2H3;1H
InChIKeyPZJHUPPLPVKMMQ-UHFFFAOYSA-N
MW257.79 g/mol
LogP0.03
Rot. Bonds4

About 3-amino-N-methyl-N-propylpyrrolidine-1-sulfonamide;hydrochloride

3-amino-N-methyl-N-propylpyrrolidine-1-sulfonamide;hydrochloride (PubChem CID 119971553) has the molecular formula C8H20ClN3O2S and a molecular weight of 257.79 g/mol. Its IUPAC name is 3-amino-N-methyl-N-propylpyrrolidine-1-sulfonamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-methyl-N-propylpyrrolidine-1-sulfonamide;hydrochloride
PubChem CID119971553
Molecular FormulaC8H20ClN3O2S
Molecular Weight257.79 g/mol
Exact Mass257.10
IUPAC Name3-amino-N-methyl-N-propylpyrrolidine-1-sulfonamide;hydrochloride
SMILESCCCN(C)S(=O)(=O)N1CCC(N)C1.Cl
InChIInChI=1S/C8H19N3O2S.ClH/c1-3-5-10(2)14(12,13)11-6-4-8(9)7-11;/h8H,3-7,9H2,1-2H3;1H
InChIKeyPZJHUPPLPVKMMQ-UHFFFAOYSA-N
XLogP0.03
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.79
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-propylpyrrolidine-1-sulfonamide;hydrochloride?
The IUPAC name of 3-amino-N-methyl-N-propylpyrrolidine-1-sulfonamide;hydrochloride (CID 119971553) is 3-amino-N-methyl-N-propylpyrrolidine-1-sulfonamide;hydrochloride.
What is the SMILES notation for 3-amino-N-methyl-N-propylpyrrolidine-1-sulfonamide;hydrochloride?
The canonical SMILES for 3-amino-N-methyl-N-propylpyrrolidine-1-sulfonamide;hydrochloride is CCCN(C)S(=O)(=O)N1CCC(N)C1.Cl.
What is the InChIKey of 3-amino-N-methyl-N-propylpyrrolidine-1-sulfonamide;hydrochloride?
The InChIKey is PZJHUPPLPVKMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O2S.ClH/c1-3-5-10(2)14(12,13)11-6-4-8(9)7-11;/h8H,3-7,9H2,1-2H3;1H.
What are the key properties of 3-amino-N-methyl-N-propylpyrrolidine-1-sulfonamide;hydrochloride?
3-amino-N-methyl-N-propylpyrrolidine-1-sulfonamide;hydrochloride has a molecular weight of 257.79 g/mol, XLogP of 0.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-propylpyrrolidine-1-sulfonamide;hydrochloride is sourced from PubChem (CID 119971553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).