N-(1-methylsulfonylpropan-2-yl)pyrrolidine-1-carboxamide

C9H18N2O3S — CID 115626187

IUPACN-(1-methylsulfonylpropan-2-yl)pyrrolidine-1-carboxamide
SMILESCC(CS(C)(=O)=O)NC(=O)N1CCCC1
InChIInChI=1S/C9H18N2O3S/c1-8(7-15(2,13)14)10-9(12)11-5-3-4-6-11/h8H,3-7H2,1-2H3,(H,10,12)
InChIKeyYZHBXIPXUSXECK-UHFFFAOYSA-N
MW234.32 g/mol
LogP0.22
Rot. Bonds3

About N-(1-methylsulfonylpropan-2-yl)pyrrolidine-1-carboxamide

N-(1-methylsulfonylpropan-2-yl)pyrrolidine-1-carboxamide (PubChem CID 115626187) has the molecular formula C9H18N2O3S and a molecular weight of 234.32 g/mol. Its IUPAC name is N-(1-methylsulfonylpropan-2-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(1-methylsulfonylpropan-2-yl)pyrrolidine-1-carboxamide
PubChem CID115626187
Molecular FormulaC9H18N2O3S
Molecular Weight234.32 g/mol
Exact Mass234.10
IUPAC NameN-(1-methylsulfonylpropan-2-yl)pyrrolidine-1-carboxamide
SMILESCC(CS(C)(=O)=O)NC(=O)N1CCCC1
InChIInChI=1S/C9H18N2O3S/c1-8(7-15(2,13)14)10-9(12)11-5-3-4-6-11/h8H,3-7H2,1-2H3,(H,10,12)
InChIKeyYZHBXIPXUSXECK-UHFFFAOYSA-N
XLogP0.22
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-methylsulfonylpropan-2-yl)piperidine-1-carboxamide
CID 115626185
3,3-dimethyl-N-(1-methylsulfonylpropan-2-yl)pyrrolidine-1-carboxamide
CID 71868248
N-butan-2-ylpyrrolidine-1-carboxamide
CID 17217776
3-methyl-1-(1-methylsulfonylpropan-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 64643431
N-(1-hydroxypropan-2-yl)azepane-1-carboxamide
CID 112729482
3-[1-(1-methylsulfonylpropan-2-ylcarbamoyl)piperidin-3-yl]propanoic acid
CID 64643622
N-(1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-1-carboxamide
CID 115590525
N-[(2R)-1-aminopropan-2-yl]azepane-1-carboxamide
CID 96683108
N-pentan-2-ylazepane-1-carboxamide
CID 115583076
N-octan-2-ylpyrrolidine-1-carboxamide
CID 56808053
N-heptan-2-ylpiperidine-1-carboxamide
CID 115578841
N-(1-piperidin-1-ylpropan-2-yl)azepane-1-carboxamide
CID 115583840

Frequently Asked Questions

What is the IUPAC name of N-(1-methylsulfonylpropan-2-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(1-methylsulfonylpropan-2-yl)pyrrolidine-1-carboxamide (CID 115626187) is N-(1-methylsulfonylpropan-2-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(1-methylsulfonylpropan-2-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(1-methylsulfonylpropan-2-yl)pyrrolidine-1-carboxamide is CC(CS(C)(=O)=O)NC(=O)N1CCCC1.
What is the InChIKey of N-(1-methylsulfonylpropan-2-yl)pyrrolidine-1-carboxamide?
The InChIKey is YZHBXIPXUSXECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3S/c1-8(7-15(2,13)14)10-9(12)11-5-3-4-6-11/h8H,3-7H2,1-2H3,(H,10,12).
What are the key properties of N-(1-methylsulfonylpropan-2-yl)pyrrolidine-1-carboxamide?
N-(1-methylsulfonylpropan-2-yl)pyrrolidine-1-carboxamide has a molecular weight of 234.32 g/mol, XLogP of 0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylsulfonylpropan-2-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 115626187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).