3-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethylsulfonyl]propanamide

C10H20N2O4S — CID 62370835

IUPAC3-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethylsulfonyl]propanamide
SMILESNC(=O)CCS(=O)(=O)CCN1CCC(CO)C1
InChIInChI=1S/C10H20N2O4S/c11-10(14)2-5-17(15,16)6-4-12-3-1-9(7-12)8-13/h9,13H,1-8H2,(H2,11,14)
InChIKeyGYJKSIPTDLGKRZ-UHFFFAOYSA-N
MW264.35 g/mol
LogP-1.41
Rot. Bonds7

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

3-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethylsulfonyl]propanamide (PubChem CID 62370835) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is 3-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethylsulfonyl]propanamide.

Molecular Properties

Compound Name3-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethylsulfonyl]propanamide
PubChem CID62370835
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC Name3-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethylsulfonyl]propanamide
SMILESNC(=O)CCS(=O)(=O)CCN1CCC(CO)C1
InChIInChI=1S/C10H20N2O4S/c11-10(14)2-5-17(15,16)6-4-12-3-1-9(7-12)8-13/h9,13H,1-8H2,(H2,11,14)
InChIKeyGYJKSIPTDLGKRZ-UHFFFAOYSA-N
XLogP-1.41
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 5-1.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(3-aminopyrrolidin-1-yl)ethylsulfonyl]propanamide
CID 62068766
2-[1-[2-(3-amino-3-oxopropyl)sulfonylethyl]piperidin-3-yl]acetic acid
CID 62690799
1-[2-(3-amino-3-oxopropyl)sulfonylethyl]piperidine-4-carboxylic acid
CID 43441535
3-[2-[4-(1-aminoethyl)piperidin-1-yl]ethylsulfonyl]propanamide
CID 63596397
3-[2-(3-amino-5-methylpiperidin-1-yl)ethylsulfonyl]propanamide
CID 79994515
3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanehydrazide
CID 112629319
2-[4-[2-(3-amino-3-oxopropyl)sulfonylethyl]morpholin-2-yl]acetic acid
CID 66433496
5-[3-(hydroxymethyl)pyrrolidin-1-yl]pentan-2-one
CID 112626363
3-[3-(hydroxymethyl)pyrrolidin-1-yl]-N,N-dimethylpropanamide
CID 62371563
2-amino-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 112626151
N-(3-amino-3-sulfanylidenepropyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-methylpropanamide
CID 112625577
[1-[(2-aminocyclohexyl)methyl]pyrrolidin-3-yl]methanol
CID 112629055

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethylsulfonyl]propanamide?
The IUPAC name of 3-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethylsulfonyl]propanamide (CID 62370835) is 3-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethylsulfonyl]propanamide.
What is the SMILES notation for 3-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethylsulfonyl]propanamide?
The canonical SMILES for 3-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethylsulfonyl]propanamide is NC(=O)CCS(=O)(=O)CCN1CCC(CO)C1.
What is the InChIKey of 3-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethylsulfonyl]propanamide?
The InChIKey is GYJKSIPTDLGKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S/c11-10(14)2-5-17(15,16)6-4-12-3-1-9(7-12)8-13/h9,13H,1-8H2,(H2,11,14).
What are the key properties of 3-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethylsulfonyl]propanamide?
3-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethylsulfonyl]propanamide has a molecular weight of 264.35 g/mol, XLogP of -1.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethylsulfonyl]propanamide is sourced from PubChem (CID 62370835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).