1-(2-aminoethylsulfonyl)pyrrolidine-2-carboxamide

C7H15N3O3S — CID 43212156

IUPAC1-(2-aminoethylsulfonyl)pyrrolidine-2-carboxamide
SMILESNCCS(=O)(=O)N1CCCC1C(N)=O
InChIInChI=1S/C7H15N3O3S/c8-3-5-14(12,13)10-4-1-2-6(10)7(9)11/h6H,1-5,8H2,(H2,9,11)
InChIKeyRAOKWRZSGVJOPT-UHFFFAOYSA-N
MW221.28 g/mol
LogP-1.78
Rot. Bonds4

About 1-(2-aminoethylsulfonyl)pyrrolidine-2-carboxamide

1-(2-aminoethylsulfonyl)pyrrolidine-2-carboxamide (PubChem CID 43212156) has the molecular formula C7H15N3O3S and a molecular weight of 221.28 g/mol. Its IUPAC name is 1-(2-aminoethylsulfonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2-aminoethylsulfonyl)pyrrolidine-2-carboxamide
PubChem CID43212156
Molecular FormulaC7H15N3O3S
Molecular Weight221.28 g/mol
Exact Mass221.08
IUPAC Name1-(2-aminoethylsulfonyl)pyrrolidine-2-carboxamide
SMILESNCCS(=O)(=O)N1CCCC1C(N)=O
InChIInChI=1S/C7H15N3O3S/c8-3-5-14(12,13)10-4-1-2-6(10)7(9)11/h6H,1-5,8H2,(H2,9,11)
InChIKeyRAOKWRZSGVJOPT-UHFFFAOYSA-N
XLogP-1.78
TPSA106.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 5-1.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-hydroxyethylsulfonyl)pyrrolidine-2-carboxamide
CID 79589293
1-(cyclopropylmethylsulfonyl)pyrrolidine-2-carboxamide
CID 166222586
3-(2-carbamoylazetidin-1-yl)sulfonylpropanoic acid
CID 165493041
N-(2-aminoethyl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 119383139
N-(2-aminoethyl)-1-propylsulfonylpyrrolidine-2-carboxamide;hydrochloride
CID 119383138
(2R)-1-tert-butylsulfonylpyrrolidine-2-carboxamide
CID 59831561
1-methylsulfonylpiperidine-2-carboxamide
CID 43236894
(2R)-1-(2-aminoethyl)pyrrolidine-2-carboxamide
CID 28822969
(2S)-1-propylsulfonylpyrrolidine-2-carboxylic acid
CID 7131642
2-(2-propylpiperidin-1-yl)sulfonylethanamine
CID 83053375
(2S)-1-[(3-methylphenyl)methylsulfonyl]pyrrolidine-2-carboxamide
CID 110867520
2-(2-carbamoylpyrrolidin-1-yl)sulfonylcyclopentane-1-carboxylic acid
CID 103342291

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethylsulfonyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(2-aminoethylsulfonyl)pyrrolidine-2-carboxamide (CID 43212156) is 1-(2-aminoethylsulfonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2-aminoethylsulfonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2-aminoethylsulfonyl)pyrrolidine-2-carboxamide is NCCS(=O)(=O)N1CCCC1C(N)=O.
What is the InChIKey of 1-(2-aminoethylsulfonyl)pyrrolidine-2-carboxamide?
The InChIKey is RAOKWRZSGVJOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O3S/c8-3-5-14(12,13)10-4-1-2-6(10)7(9)11/h6H,1-5,8H2,(H2,9,11).
What are the key properties of 1-(2-aminoethylsulfonyl)pyrrolidine-2-carboxamide?
1-(2-aminoethylsulfonyl)pyrrolidine-2-carboxamide has a molecular weight of 221.28 g/mol, XLogP of -1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethylsulfonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 43212156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).