3-[[2-oxo-2-(propan-2-ylamino)ethyl]sulfamoyl]-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride

C13H27ClN4O4S — CID 119513490

IUPAC3-[[2-oxo-2-(propan-2-ylamino)ethyl]sulfamoyl]-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
SMILESCC(C)NC(=O)CNS(=O)(=O)CCC(=O)NCC1CCCN1.Cl
InChIInChI=1S/C13H26N4O4S.ClH/c1-10(2)17-13(19)9-16-22(20,21)7-5-12(18)15-8-11-4-3-6-14-11;/h10-11,14,16H,3-9H2,1-2H3,(H,15,18)(H,17,19);1H
InChIKeyIDGOSXXCXQCYKY-UHFFFAOYSA-N
MW370.90 g/mol
LogP-0.89
Rot. Bonds9

About 3-[[2-oxo-2-(propan-2-ylamino)ethyl]sulfamoyl]-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride

3-[[2-oxo-2-(propan-2-ylamino)ethyl]sulfamoyl]-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride (PubChem CID 119513490) has the molecular formula C13H27ClN4O4S and a molecular weight of 370.90 g/mol. Its IUPAC name is 3-[[2-oxo-2-(propan-2-ylamino)ethyl]sulfamoyl]-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-[[2-oxo-2-(propan-2-ylamino)ethyl]sulfamoyl]-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
PubChem CID119513490
Molecular FormulaC13H27ClN4O4S
Molecular Weight370.90 g/mol
Exact Mass370.14
IUPAC Name3-[[2-oxo-2-(propan-2-ylamino)ethyl]sulfamoyl]-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
SMILESCC(C)NC(=O)CNS(=O)(=O)CCC(=O)NCC1CCCN1.Cl
InChIInChI=1S/C13H26N4O4S.ClH/c1-10(2)17-13(19)9-16-22(20,21)7-5-12(18)15-8-11-4-3-6-14-11;/h10-11,14,16H,3-9H2,1-2H3,(H,15,18)(H,17,19);1H
InChIKeyIDGOSXXCXQCYKY-UHFFFAOYSA-N
XLogP-0.89
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.90
LogP ≤ 5-0.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 3-[[2-oxo-2-(propan-2-ylamino)ethyl]sulfamoyl]-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[(2R)-pyrrolidin-2-yl]methyl]pentanamide;hydrochloride
CID 175666343
2-propylsulfonyl-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 119510423
3-(4-methylpentan-2-yloxy)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
CID 119514198
N-ethyl-2-(2-piperidin-2-ylethylsulfonylamino)acetamide
CID 60863848
3,3-dimethyl-N-[2-oxo-2-(pyrrolidin-2-ylmethylamino)ethyl]butanamide;hydrochloride
CID 119512367
4-hydroxy-N-[[(2R)-pyrrolidin-2-yl]methyl]pent-4-enamide
CID 177056000
3-ethyl-N-(pyrrolidin-2-ylmethyl)pentanamide;hydrochloride
CID 119511693
2-propan-2-yloxy-N-(pyrrolidin-2-ylmethyl)acetamide
CID 112701289
3-ethyl-4-methyl-N-(pyrrolidin-2-ylmethyl)pentanamide;hydrochloride
CID 119510156
2-[1-(methylsulfonylmethyl)cyclopropyl]-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 119512891
2-chloro-N-(pyrrolidin-2-ylmethyl)acetamide
CID 71302527
(2R)-2-amino-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
CID 130719126

Frequently Asked Questions

What is the IUPAC name of 3-[[2-oxo-2-(propan-2-ylamino)ethyl]sulfamoyl]-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride?
The IUPAC name of 3-[[2-oxo-2-(propan-2-ylamino)ethyl]sulfamoyl]-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride (CID 119513490) is 3-[[2-oxo-2-(propan-2-ylamino)ethyl]sulfamoyl]-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride.
What is the SMILES notation for 3-[[2-oxo-2-(propan-2-ylamino)ethyl]sulfamoyl]-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride?
The canonical SMILES for 3-[[2-oxo-2-(propan-2-ylamino)ethyl]sulfamoyl]-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride is CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NCC1CCCN1.Cl.
What is the InChIKey of 3-[[2-oxo-2-(propan-2-ylamino)ethyl]sulfamoyl]-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride?
The InChIKey is IDGOSXXCXQCYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O4S.ClH/c1-10(2)17-13(19)9-16-22(20,21)7-5-12(18)15-8-11-4-3-6-14-11;/h10-11,14,16H,3-9H2,1-2H3,(H,15,18)(H,17,19);1H.
What are the key properties of 3-[[2-oxo-2-(propan-2-ylamino)ethyl]sulfamoyl]-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride?
3-[[2-oxo-2-(propan-2-ylamino)ethyl]sulfamoyl]-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride has a molecular weight of 370.90 g/mol, XLogP of -0.89, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-oxo-2-(propan-2-ylamino)ethyl]sulfamoyl]-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride is sourced from PubChem (CID 119513490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).