3-methylsulfonyl-N-(2-pyrrolidin-3-ylethyl)propanamide

C10H20N2O3S — CID 63628388

IUPAC3-methylsulfonyl-N-(2-pyrrolidin-3-ylethyl)propanamide
SMILESCS(=O)(=O)CCC(=O)NCCC1CCNC1
InChIInChI=1S/C10H20N2O3S/c1-16(14,15)7-4-10(13)12-6-3-9-2-5-11-8-9/h9,11H,2-8H2,1H3,(H,12,13)
InChIKeyJZDLMIJOJUVFIZ-UHFFFAOYSA-N
MW248.35 g/mol
LogP-0.46
Rot. Bonds6

About 3-methylsulfonyl-N-(2-pyrrolidin-3-ylethyl)propanamide

3-methylsulfonyl-N-(2-pyrrolidin-3-ylethyl)propanamide (PubChem CID 63628388) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is 3-methylsulfonyl-N-(2-pyrrolidin-3-ylethyl)propanamide.

Molecular Properties

Compound Name3-methylsulfonyl-N-(2-pyrrolidin-3-ylethyl)propanamide
PubChem CID63628388
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC Name3-methylsulfonyl-N-(2-pyrrolidin-3-ylethyl)propanamide
SMILESCS(=O)(=O)CCC(=O)NCCC1CCNC1
InChIInChI=1S/C10H20N2O3S/c1-16(14,15)7-4-10(13)12-6-3-9-2-5-11-8-9/h9,11H,2-8H2,1H3,(H,12,13)
InChIKeyJZDLMIJOJUVFIZ-UHFFFAOYSA-N
XLogP-0.46
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(cyclopentylmethyl)-2-methylsulfonylpropanamide
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N-((1,1-dioxidotetrahydrothiophen-3-yl)methyl)acetamide
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4-methyl-N-(2-methylsulfonylethyl)pentanamide
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N-(2-methylpropyl)-4-methylsulfonylbutanamide
CID 57487277
3-methyl-N-(2-methylsulfonylethyl)butanamide
CID 57733909
N-(2-methylpropyl)-3-methylsulfonylpropanamide
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2-methyl-N-(3-methylsulfonylpropyl)propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonyl-N-(2-pyrrolidin-3-ylethyl)propanamide?
The IUPAC name of 3-methylsulfonyl-N-(2-pyrrolidin-3-ylethyl)propanamide (CID 63628388) is 3-methylsulfonyl-N-(2-pyrrolidin-3-ylethyl)propanamide.
What is the SMILES notation for 3-methylsulfonyl-N-(2-pyrrolidin-3-ylethyl)propanamide?
The canonical SMILES for 3-methylsulfonyl-N-(2-pyrrolidin-3-ylethyl)propanamide is CS(=O)(=O)CCC(=O)NCCC1CCNC1.
What is the InChIKey of 3-methylsulfonyl-N-(2-pyrrolidin-3-ylethyl)propanamide?
The InChIKey is JZDLMIJOJUVFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S/c1-16(14,15)7-4-10(13)12-6-3-9-2-5-11-8-9/h9,11H,2-8H2,1H3,(H,12,13).
What are the key properties of 3-methylsulfonyl-N-(2-pyrrolidin-3-ylethyl)propanamide?
3-methylsulfonyl-N-(2-pyrrolidin-3-ylethyl)propanamide has a molecular weight of 248.35 g/mol, XLogP of -0.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonyl-N-(2-pyrrolidin-3-ylethyl)propanamide is sourced from PubChem (CID 63628388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).