N-(3-aminobutyl)-1-propylsulfonylpyrrolidine-2-carboxamide

C12H25N3O3S — CID 119496331

IUPACN-(3-aminobutyl)-1-propylsulfonylpyrrolidine-2-carboxamide
SMILESCCCS(=O)(=O)N1CCCC1C(=O)NCCC(C)N
InChIInChI=1S/C12H25N3O3S/c1-3-9-19(17,18)15-8-4-5-11(15)12(16)14-7-6-10(2)13/h10-11H,3-9,13H2,1-2H3,(H,14,16)
InChIKeyOUZXNBPUQZRLCT-UHFFFAOYSA-N
MW291.42 g/mol
LogP0.04
Rot. Bonds7

About N-(3-aminobutyl)-1-propylsulfonylpyrrolidine-2-carboxamide

N-(3-aminobutyl)-1-propylsulfonylpyrrolidine-2-carboxamide (PubChem CID 119496331) has the molecular formula C12H25N3O3S and a molecular weight of 291.42 g/mol. Its IUPAC name is N-(3-aminobutyl)-1-propylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-aminobutyl)-1-propylsulfonylpyrrolidine-2-carboxamide
PubChem CID119496331
Molecular FormulaC12H25N3O3S
Molecular Weight291.42 g/mol
Exact Mass291.16
IUPAC NameN-(3-aminobutyl)-1-propylsulfonylpyrrolidine-2-carboxamide
SMILESCCCS(=O)(=O)N1CCCC1C(=O)NCCC(C)N
InChIInChI=1S/C12H25N3O3S/c1-3-9-19(17,18)15-8-4-5-11(15)12(16)14-7-6-10(2)13/h10-11H,3-9,13H2,1-2H3,(H,14,16)
InChIKeyOUZXNBPUQZRLCT-UHFFFAOYSA-N
XLogP0.04
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 119383139
N-(2-aminoethyl)-1-propylsulfonylpyrrolidine-2-carboxamide;hydrochloride
CID 119383138
N-(3-hydroxy-2-methylpropyl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 65036791
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
N-(6-methylheptan-2-yl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 134035793
N-(3-aminobutyl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 119496180
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-propylsulfonylpiperidine-2-carboxamide
CID 55992784
N-(3-aminobutyl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide;hydrochloride
CID 119496179
1-butylsulfonyl-N-[2-(methylamino)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119500648
2-methoxy-3-[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]propanoic acid
CID 106107643

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-1-propylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-(3-aminobutyl)-1-propylsulfonylpyrrolidine-2-carboxamide (CID 119496331) is N-(3-aminobutyl)-1-propylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(3-aminobutyl)-1-propylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(3-aminobutyl)-1-propylsulfonylpyrrolidine-2-carboxamide is CCCS(=O)(=O)N1CCCC1C(=O)NCCC(C)N.
What is the InChIKey of N-(3-aminobutyl)-1-propylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is OUZXNBPUQZRLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O3S/c1-3-9-19(17,18)15-8-4-5-11(15)12(16)14-7-6-10(2)13/h10-11H,3-9,13H2,1-2H3,(H,14,16).
What are the key properties of N-(3-aminobutyl)-1-propylsulfonylpyrrolidine-2-carboxamide?
N-(3-aminobutyl)-1-propylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 291.42 g/mol, XLogP of 0.04, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-1-propylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 119496331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).