3-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)ethylsulfonyl]propanamide

C10H20N2O4S — CID 113249862

IUPAC3-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)ethylsulfonyl]propanamide
SMILESCC1(O)CCN(CCS(=O)(=O)CCC(N)=O)C1
InChIInChI=1S/C10H20N2O4S/c1-10(14)3-4-12(8-10)5-7-17(15,16)6-2-9(11)13/h14H,2-8H2,1H3,(H2,11,13)
InChIKeyMLBRMCBAWMWQTP-UHFFFAOYSA-N
MW264.35 g/mol
LogP-1.27
Rot. Bonds6

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

3-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)ethylsulfonyl]propanamide (PubChem CID 113249862) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is 3-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)ethylsulfonyl]propanamide.

Molecular Properties

Compound Name3-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)ethylsulfonyl]propanamide
PubChem CID113249862
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC Name3-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)ethylsulfonyl]propanamide
SMILESCC1(O)CCN(CCS(=O)(=O)CCC(N)=O)C1
InChIInChI=1S/C10H20N2O4S/c1-10(14)3-4-12(8-10)5-7-17(15,16)6-2-9(11)13/h14H,2-8H2,1H3,(H2,11,13)
InChIKeyMLBRMCBAWMWQTP-UHFFFAOYSA-N
XLogP-1.27
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 5-1.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[2-(3-amino-3-oxopropyl)sulfonylethyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102659568
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CID 106729226
methyl 3-(3-hydroxy-3-methylpyrrolidin-1-yl)propanoate
CID 103729366
1-[2-(3-amino-3-oxopropyl)sulfonylethyl]piperidine-4-carboxylic acid
CID 43441535
3-[2-(3-aminopyrrolidin-1-yl)ethylsulfonyl]propanamide
CID 62068766
3-[2-[4-(1-aminoethyl)piperidin-1-yl]ethylsulfonyl]propanamide
CID 63596397
6-(3-hydroxy-3-methylpyrrolidin-1-yl)hexan-3-one
CID 106801627
1-(3-ethylsulfonylpropyl)-3-methylpiperidin-3-ol
CID 115873963
3-[2-(3-amino-5-methylpiperidin-1-yl)ethylsulfonyl]propanamide
CID 79994515
3-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethylsulfonyl]propanamide
CID 62370835
3-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-propan-2-ylpropanamide
CID 103728301
[3-methyl-1-(2-propylsulfonylethyl)pyrrolidin-3-yl]methanamine;hydrochloride
CID 120773462

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)ethylsulfonyl]propanamide?
The IUPAC name of 3-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)ethylsulfonyl]propanamide (CID 113249862) is 3-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)ethylsulfonyl]propanamide.
What is the SMILES notation for 3-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)ethylsulfonyl]propanamide?
The canonical SMILES for 3-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)ethylsulfonyl]propanamide is CC1(O)CCN(CCS(=O)(=O)CCC(N)=O)C1.
What is the InChIKey of 3-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)ethylsulfonyl]propanamide?
The InChIKey is MLBRMCBAWMWQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S/c1-10(14)3-4-12(8-10)5-7-17(15,16)6-2-9(11)13/h14H,2-8H2,1H3,(H2,11,13).
What are the key properties of 3-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)ethylsulfonyl]propanamide?
3-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)ethylsulfonyl]propanamide has a molecular weight of 264.35 g/mol, XLogP of -1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)ethylsulfonyl]propanamide is sourced from PubChem (CID 113249862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).