1-(cyclopropylmethylsulfonyl)pyrrolidine-2-carboxamide

C9H16N2O3S — CID 166222586

IUPAC1-(cyclopropylmethylsulfonyl)pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1S(=O)(=O)CC1CC1
InChIInChI=1S/C9H16N2O3S/c10-9(12)8-2-1-5-11(8)15(13,14)6-7-3-4-7/h7-8H,1-6H2,(H2,10,12)
InChIKeyLPXFXCNFNSKKLS-UHFFFAOYSA-N
MW232.30 g/mol
LogP-0.32
Rot. Bonds4

About 1-(cyclopropylmethylsulfonyl)pyrrolidine-2-carboxamide

1-(cyclopropylmethylsulfonyl)pyrrolidine-2-carboxamide (PubChem CID 166222586) has the molecular formula C9H16N2O3S and a molecular weight of 232.30 g/mol. Its IUPAC name is 1-(cyclopropylmethylsulfonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(cyclopropylmethylsulfonyl)pyrrolidine-2-carboxamide
PubChem CID166222586
Molecular FormulaC9H16N2O3S
Molecular Weight232.30 g/mol
Exact Mass232.09
IUPAC Name1-(cyclopropylmethylsulfonyl)pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1S(=O)(=O)CC1CC1
InChIInChI=1S/C9H16N2O3S/c10-9(12)8-2-1-5-11(8)15(13,14)6-7-3-4-7/h7-8H,1-6H2,(H2,10,12)
InChIKeyLPXFXCNFNSKKLS-UHFFFAOYSA-N
XLogP-0.32
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethylsulfonyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(cyclopropylmethylsulfonyl)pyrrolidine-2-carboxamide (CID 166222586) is 1-(cyclopropylmethylsulfonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(cyclopropylmethylsulfonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(cyclopropylmethylsulfonyl)pyrrolidine-2-carboxamide is NC(=O)C1CCCN1S(=O)(=O)CC1CC1.
What is the InChIKey of 1-(cyclopropylmethylsulfonyl)pyrrolidine-2-carboxamide?
The InChIKey is LPXFXCNFNSKKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3S/c10-9(12)8-2-1-5-11(8)15(13,14)6-7-3-4-7/h7-8H,1-6H2,(H2,10,12).
What are the key properties of 1-(cyclopropylmethylsulfonyl)pyrrolidine-2-carboxamide?
1-(cyclopropylmethylsulfonyl)pyrrolidine-2-carboxamide has a molecular weight of 232.30 g/mol, XLogP of -0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethylsulfonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 166222586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).