3-amino-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)propane-1-sulfonamide

C10H21N3O3S — CID 61442057

IUPAC3-amino-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)propane-1-sulfonamide
SMILESCN(CC(=O)N1CCCC1)S(=O)(=O)CCCN
InChIInChI=1S/C10H21N3O3S/c1-12(17(15,16)8-4-5-11)9-10(14)13-6-2-3-7-13/h2-9,11H2,1H3
InChIKeyISKOZYCCNAOLBH-UHFFFAOYSA-N
MW263.36 g/mol
LogP-0.78
Rot. Bonds6

About 3-amino-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)propane-1-sulfonamide

3-amino-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)propane-1-sulfonamide (PubChem CID 61442057) has the molecular formula C10H21N3O3S and a molecular weight of 263.36 g/mol. Its IUPAC name is 3-amino-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-amino-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)propane-1-sulfonamide
PubChem CID61442057
Molecular FormulaC10H21N3O3S
Molecular Weight263.36 g/mol
Exact Mass263.13
IUPAC Name3-amino-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)propane-1-sulfonamide
SMILESCN(CC(=O)N1CCCC1)S(=O)(=O)CCCN
InChIInChI=1S/C10H21N3O3S/c1-12(17(15,16)8-4-5-11)9-10(14)13-6-2-3-7-13/h2-9,11H2,1H3
InChIKeyISKOZYCCNAOLBH-UHFFFAOYSA-N
XLogP-0.78
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 5-0.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-aminopropyl(methyl)sulfamoyl]-methylamino]-1-pyrrolidin-1-ylethanone
CID 61457074
2-[3-aminopropylsulfonyl(methyl)amino]-N,N-dimethylacetamide
CID 60910488
3-amino-N-methyl-N-(2-pyrrolidin-1-ylethyl)propane-1-sulfonamide
CID 63207731
2-[methyl-(2-oxo-2-piperidin-1-ylethyl)amino]-1-piperidin-1-ylethanone
CID 58826563
2-[3-aminopropyl(propan-2-yl)amino]-1-(azepan-1-yl)ethanone
CID 43137448
2-[3-aminopropyl(propyl)amino]-1-pyrrolidin-1-ylethanone
CID 43137313
N-(3-aminopropyl)-N-methylpyrrolidine-1-carboxamide
CID 79160813
2-(aminomethyl)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 61442551
2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethanethioamide
CID 60730410
4-amino-1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]butan-1-one
CID 54872719
3-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]propanamide
CID 55028667
3-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]propane-1-sulfonamide
CID 79313720

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)propane-1-sulfonamide?
The IUPAC name of 3-amino-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)propane-1-sulfonamide (CID 61442057) is 3-amino-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)propane-1-sulfonamide.
What is the SMILES notation for 3-amino-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)propane-1-sulfonamide?
The canonical SMILES for 3-amino-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)propane-1-sulfonamide is CN(CC(=O)N1CCCC1)S(=O)(=O)CCCN.
What is the InChIKey of 3-amino-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)propane-1-sulfonamide?
The InChIKey is ISKOZYCCNAOLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O3S/c1-12(17(15,16)8-4-5-11)9-10(14)13-6-2-3-7-13/h2-9,11H2,1H3.
What are the key properties of 3-amino-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)propane-1-sulfonamide?
3-amino-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)propane-1-sulfonamide has a molecular weight of 263.36 g/mol, XLogP of -0.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)propane-1-sulfonamide is sourced from PubChem (CID 61442057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).