N-(2-aminoethyl)-1-propylsulfonylpyrrolidine-2-carboxamide

C10H21N3O3S — CID 119383139

IUPACN-(2-aminoethyl)-1-propylsulfonylpyrrolidine-2-carboxamide
SMILESCCCS(=O)(=O)N1CCCC1C(=O)NCCN
InChIInChI=1S/C10H21N3O3S/c1-2-8-17(15,16)13-7-3-4-9(13)10(14)12-6-5-11/h9H,2-8,11H2,1H3,(H,12,14)
InChIKeyUVDZSUPVWHYDCC-UHFFFAOYSA-N
MW263.36 g/mol
LogP-0.73
Rot. Bonds6

About N-(2-aminoethyl)-1-propylsulfonylpyrrolidine-2-carboxamide

N-(2-aminoethyl)-1-propylsulfonylpyrrolidine-2-carboxamide (PubChem CID 119383139) has the molecular formula C10H21N3O3S and a molecular weight of 263.36 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-propylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-propylsulfonylpyrrolidine-2-carboxamide
PubChem CID119383139
Molecular FormulaC10H21N3O3S
Molecular Weight263.36 g/mol
Exact Mass263.13
IUPAC NameN-(2-aminoethyl)-1-propylsulfonylpyrrolidine-2-carboxamide
SMILESCCCS(=O)(=O)N1CCCC1C(=O)NCCN
InChIInChI=1S/C10H21N3O3S/c1-2-8-17(15,16)13-7-3-4-9(13)10(14)12-6-5-11/h9H,2-8,11H2,1H3,(H,12,14)
InChIKeyUVDZSUPVWHYDCC-UHFFFAOYSA-N
XLogP-0.73
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-1-propylsulfonylpyrrolidine-2-carboxamide;hydrochloride
CID 119383138
N-(3-aminobutyl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 119496331
4-[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]butanoic acid
CID 43355013
ethyl 2-[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]acetate
CID 60811787
(2S)-2-hydroxy-3-[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]propanoic acid
CID 107833370
1-butylsulfonyl-N-[2-(methylamino)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119500648
N-(3-hydroxy-2-methylpropyl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 65036791
2-hydroxy-2-methyl-3-[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]propanoic acid
CID 66171979
(2S)-1-propylsulfonylpyrrolidine-2-carboxylic acid
CID 7131642
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-propylsulfonylpiperidine-2-carboxamide
CID 55992784
2-methoxy-3-[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]propanoic acid
CID 106107643
1-(2-aminoethylsulfonyl)pyrrolidine-2-carboxamide
CID 43212156

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-propylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-propylsulfonylpyrrolidine-2-carboxamide (CID 119383139) is N-(2-aminoethyl)-1-propylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-propylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-propylsulfonylpyrrolidine-2-carboxamide is CCCS(=O)(=O)N1CCCC1C(=O)NCCN.
What is the InChIKey of N-(2-aminoethyl)-1-propylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is UVDZSUPVWHYDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O3S/c1-2-8-17(15,16)13-7-3-4-9(13)10(14)12-6-5-11/h9H,2-8,11H2,1H3,(H,12,14).
What are the key properties of N-(2-aminoethyl)-1-propylsulfonylpyrrolidine-2-carboxamide?
N-(2-aminoethyl)-1-propylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 263.36 g/mol, XLogP of -0.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-propylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 119383139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).