N-(3-aminopropyl)-N-methylpyrrolidine-1-sulfonamide

C8H19N3O2S — CID 28783225

IUPACN-(3-aminopropyl)-N-methylpyrrolidine-1-sulfonamide
SMILESCN(CCCN)S(=O)(=O)N1CCCC1
InChIInChI=1S/C8H19N3O2S/c1-10(6-4-5-9)14(12,13)11-7-2-3-8-11/h2-9H2,1H3
InChIKeyBBAQHTYQORULRJ-UHFFFAOYSA-N
MW221.33 g/mol
LogP-0.39
Rot. Bonds5

About N-(3-aminopropyl)-N-methylpyrrolidine-1-sulfonamide

N-(3-aminopropyl)-N-methylpyrrolidine-1-sulfonamide (PubChem CID 28783225) has the molecular formula C8H19N3O2S and a molecular weight of 221.33 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-methylpyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-methylpyrrolidine-1-sulfonamide
PubChem CID28783225
Molecular FormulaC8H19N3O2S
Molecular Weight221.33 g/mol
Exact Mass221.12
IUPAC NameN-(3-aminopropyl)-N-methylpyrrolidine-1-sulfonamide
SMILESCN(CCCN)S(=O)(=O)N1CCCC1
InChIInChI=1S/C8H19N3O2S/c1-10(6-4-5-9)14(12,13)11-7-2-3-8-11/h2-9H2,1H3
InChIKeyBBAQHTYQORULRJ-UHFFFAOYSA-N
XLogP-0.39
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-Pyrrolidinesulfonamide
CID 28784573
N-[(3S)-3-fluorobutyl]pyrrolidine-1-sulfonamide
CID 164631280
N'-[3-(3-fluoropyrrolidin-1-yl)propylsulfamoyl]-N,N,2,2-tetramethylpropane-1,3-diamine
CID 141195094
N-[2-(1-propylpyrrolidin-1-ium-1-yl)ethyl]sulfamoyl fluoride
CID 169983700
1-(Diethylsulfamoylamino)butane
CID 86256197
N-(3-fluorobutyl)pyrrolidine-1-sulfonamide
CID 132288047
3-Pyrrolidin-1-ylpropylsulfamic acid
CID 10149148
2-Butyl-1,2,5-thiadiazolidine 1,1-dioxide
CID 11412706
N-(3-pyrrolidin-1-ylpropyl)methanesulfonamide
CID 17639898
N-ethylpyrrolidine-1-sulfonamide
CID 43243221
N-propylpyrrolidine-1-sulfonamide
CID 43243225
1-[Ethylsulfamoyl(propyl)amino]propane
CID 43247503

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-methylpyrrolidine-1-sulfonamide?
The IUPAC name of N-(3-aminopropyl)-N-methylpyrrolidine-1-sulfonamide (CID 28783225) is N-(3-aminopropyl)-N-methylpyrrolidine-1-sulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-N-methylpyrrolidine-1-sulfonamide?
The canonical SMILES for N-(3-aminopropyl)-N-methylpyrrolidine-1-sulfonamide is CN(CCCN)S(=O)(=O)N1CCCC1.
What is the InChIKey of N-(3-aminopropyl)-N-methylpyrrolidine-1-sulfonamide?
The InChIKey is BBAQHTYQORULRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O2S/c1-10(6-4-5-9)14(12,13)11-7-2-3-8-11/h2-9H2,1H3.
What are the key properties of N-(3-aminopropyl)-N-methylpyrrolidine-1-sulfonamide?
N-(3-aminopropyl)-N-methylpyrrolidine-1-sulfonamide has a molecular weight of 221.33 g/mol, XLogP of -0.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-methylpyrrolidine-1-sulfonamide is sourced from PubChem (CID 28783225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).