N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-2-sulfamoylpropanamide

C13H21N3O3S2 — CID 138005791

IUPACN-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-2-sulfamoylpropanamide
SMILESCC(C(=O)NCC(c1cccs1)N1CCCC1)S(N)(=O)=O
InChIInChI=1S/C13H21N3O3S2/c1-10(21(14,18)19)13(17)15-9-11(12-5-4-8-20-12)16-6-2-3-7-16/h4-5,8,10-11H,2-3,6-7,9H2,1H3,(H,15,17)(H2,14,18,19)
InChIKeyPORLMLYIBFIFON-UHFFFAOYSA-N
MW331.46 g/mol
LogP0.68
Rot. Bonds6

About N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-2-sulfamoylpropanamide

N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-2-sulfamoylpropanamide (PubChem CID 138005791) has the molecular formula C13H21N3O3S2 and a molecular weight of 331.46 g/mol. Its IUPAC name is N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-2-sulfamoylpropanamide.

Molecular Properties

Compound NameN-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-2-sulfamoylpropanamide
PubChem CID138005791
Molecular FormulaC13H21N3O3S2
Molecular Weight331.46 g/mol
Exact Mass331.10
IUPAC NameN-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-2-sulfamoylpropanamide
SMILESCC(C(=O)NCC(c1cccs1)N1CCCC1)S(N)(=O)=O
InChIInChI=1S/C13H21N3O3S2/c1-10(21(14,18)19)13(17)15-9-11(12-5-4-8-20-12)16-6-2-3-7-16/h4-5,8,10-11H,2-3,6-7,9H2,1H3,(H,15,17)(H2,14,18,19)
InChIKeyPORLMLYIBFIFON-UHFFFAOYSA-N
XLogP0.68
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-4-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)pentanamide;dihydrochloride
CID 119831535
2-methylsulfanyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide
CID 134057480
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]propanamide;hydrochloride
CID 52984652
3-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)but-2-enamide
CID 134057487
4-chloro-N-[1-oxo-1-[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]propan-2-yl]benzamide
CID 112765121
1-(4-hydroxy-3-methylbutan-2-yl)-3-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)urea
CID 111454012
3-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 17012410
N-[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide
CID 34950040
N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 35042267
3-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)thiophene-2-carboxamide
CID 46522611
3-methyl-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 17011590
3-amino-2-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)butanamide;dihydrochloride
CID 120502460

Frequently Asked Questions

What is the IUPAC name of N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-2-sulfamoylpropanamide?
The IUPAC name of N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-2-sulfamoylpropanamide (CID 138005791) is N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-2-sulfamoylpropanamide.
What is the SMILES notation for N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-2-sulfamoylpropanamide?
The canonical SMILES for N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-2-sulfamoylpropanamide is CC(C(=O)NCC(c1cccs1)N1CCCC1)S(N)(=O)=O.
What is the InChIKey of N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-2-sulfamoylpropanamide?
The InChIKey is PORLMLYIBFIFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S2/c1-10(21(14,18)19)13(17)15-9-11(12-5-4-8-20-12)16-6-2-3-7-16/h4-5,8,10-11H,2-3,6-7,9H2,1H3,(H,15,17)(H2,14,18,19).
What are the key properties of N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-2-sulfamoylpropanamide?
N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-2-sulfamoylpropanamide has a molecular weight of 331.46 g/mol, XLogP of 0.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-2-sulfamoylpropanamide is sourced from PubChem (CID 138005791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).