3-[2-(3-aminopyrrolidin-1-yl)ethylsulfonyl]propanamide

C9H19N3O3S — CID 62068766

IUPAC3-[2-(3-aminopyrrolidin-1-yl)ethylsulfonyl]propanamide
SMILESNC(=O)CCS(=O)(=O)CCN1CCC(N)C1
InChIInChI=1S/C9H19N3O3S/c10-8-1-3-12(7-8)4-6-16(14,15)5-2-9(11)13/h8H,1-7,10H2,(H2,11,13)
InChIKeyMJSYREKGUMMCDT-UHFFFAOYSA-N
MW249.34 g/mol
LogP-1.69
Rot. Bonds6

About 3-[2-(3-aminopyrrolidin-1-yl)ethylsulfonyl]propanamide

3-[2-(3-aminopyrrolidin-1-yl)ethylsulfonyl]propanamide (PubChem CID 62068766) has the molecular formula C9H19N3O3S and a molecular weight of 249.34 g/mol. Its IUPAC name is 3-[2-(3-aminopyrrolidin-1-yl)ethylsulfonyl]propanamide.

Molecular Properties

Compound Name3-[2-(3-aminopyrrolidin-1-yl)ethylsulfonyl]propanamide
PubChem CID62068766
Molecular FormulaC9H19N3O3S
Molecular Weight249.34 g/mol
Exact Mass249.11
IUPAC Name3-[2-(3-aminopyrrolidin-1-yl)ethylsulfonyl]propanamide
SMILESNC(=O)CCS(=O)(=O)CCN1CCC(N)C1
InChIInChI=1S/C9H19N3O3S/c10-8-1-3-12(7-8)4-6-16(14,15)5-2-9(11)13/h8H,1-7,10H2,(H2,11,13)
InChIKeyMJSYREKGUMMCDT-UHFFFAOYSA-N
XLogP-1.69
TPSA106.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 5-1.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethylsulfonyl]propanamide
CID 62370835
3-[2-(3-amino-5-methylpiperidin-1-yl)ethylsulfonyl]propanamide
CID 79994515
1-[2-(3-amino-3-oxopropyl)sulfonylethyl]piperidine-4-carboxylic acid
CID 43441535
2-[1-[2-(3-amino-3-oxopropyl)sulfonylethyl]piperidin-3-yl]acetic acid
CID 62690799
3-[2-[4-(1-aminoethyl)piperidin-1-yl]ethylsulfonyl]propanamide
CID 63596397
2-[4-[2-(3-amino-3-oxopropyl)sulfonylethyl]morpholin-2-yl]acetic acid
CID 66433496
4-(4-aminopiperidin-1-yl)butanamide
CID 118533814
4-(3-aminopyrrolidin-1-yl)butanoic acid
CID 62069212
3-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)ethylsulfonyl]propanamide
CID 113249862
6-(3-aminopyrrolidin-1-yl)hexan-3-one
CID 106801405
1-(2-ethylsulfonylethyl)pyrrolidin-3-ol
CID 62916486
1-(2-methylsulfonylethyl)azepan-3-amine
CID 84686145

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-aminopyrrolidin-1-yl)ethylsulfonyl]propanamide?
The IUPAC name of 3-[2-(3-aminopyrrolidin-1-yl)ethylsulfonyl]propanamide (CID 62068766) is 3-[2-(3-aminopyrrolidin-1-yl)ethylsulfonyl]propanamide.
What is the SMILES notation for 3-[2-(3-aminopyrrolidin-1-yl)ethylsulfonyl]propanamide?
The canonical SMILES for 3-[2-(3-aminopyrrolidin-1-yl)ethylsulfonyl]propanamide is NC(=O)CCS(=O)(=O)CCN1CCC(N)C1.
What is the InChIKey of 3-[2-(3-aminopyrrolidin-1-yl)ethylsulfonyl]propanamide?
The InChIKey is MJSYREKGUMMCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O3S/c10-8-1-3-12(7-8)4-6-16(14,15)5-2-9(11)13/h8H,1-7,10H2,(H2,11,13).
What are the key properties of 3-[2-(3-aminopyrrolidin-1-yl)ethylsulfonyl]propanamide?
3-[2-(3-aminopyrrolidin-1-yl)ethylsulfonyl]propanamide has a molecular weight of 249.34 g/mol, XLogP of -1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-aminopyrrolidin-1-yl)ethylsulfonyl]propanamide is sourced from PubChem (CID 62068766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).