(2S)-N-(furan-2-ylsulfonyl)pyrrolidine-2-carboxamide

C9H12N2O4S — CID 102391407

IUPAC(2S)-N-(furan-2-ylsulfonyl)pyrrolidine-2-carboxamide
SMILESO=C(NS(=O)(=O)c1ccco1)[C@@H]1CCCN1
InChIInChI=1S/C9H12N2O4S/c12-9(7-3-1-5-10-7)11-16(13,14)8-4-2-6-15-8/h2,4,6-7,10H,1,3,5H2,(H,11,12)/t7-/m0/s1
InChIKeyOBTOTUNIOSBSKR-ZETCQYMHSA-N
MW244.27 g/mol
LogP-0.16
Rot. Bonds3

About (2S)-N-(furan-2-ylsulfonyl)pyrrolidine-2-carboxamide

(2S)-N-(furan-2-ylsulfonyl)pyrrolidine-2-carboxamide (PubChem CID 102391407) has the molecular formula C9H12N2O4S and a molecular weight of 244.27 g/mol. Its IUPAC name is (2S)-N-(furan-2-ylsulfonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(furan-2-ylsulfonyl)pyrrolidine-2-carboxamide
PubChem CID102391407
Molecular FormulaC9H12N2O4S
Molecular Weight244.27 g/mol
Exact Mass244.05
IUPAC Name(2S)-N-(furan-2-ylsulfonyl)pyrrolidine-2-carboxamide
SMILESO=C(NS(=O)(=O)c1ccco1)[C@@H]1CCCN1
InChIInChI=1S/C9H12N2O4S/c12-9(7-3-1-5-10-7)11-16(13,14)8-4-2-6-15-8/h2,4,6-7,10H,1,3,5H2,(H,11,12)/t7-/m0/s1
InChIKeyOBTOTUNIOSBSKR-ZETCQYMHSA-N
XLogP-0.16
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(furan-2-ylsulfonyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(furan-2-ylsulfonyl)pyrrolidine-2-carboxamide (CID 102391407) is (2S)-N-(furan-2-ylsulfonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(furan-2-ylsulfonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(furan-2-ylsulfonyl)pyrrolidine-2-carboxamide is O=C(NS(=O)(=O)c1ccco1)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-(furan-2-ylsulfonyl)pyrrolidine-2-carboxamide?
The InChIKey is OBTOTUNIOSBSKR-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H12N2O4S/c12-9(7-3-1-5-10-7)11-16(13,14)8-4-2-6-15-8/h2,4,6-7,10H,1,3,5H2,(H,11,12)/t7-/m0/s1.
What are the key properties of (2S)-N-(furan-2-ylsulfonyl)pyrrolidine-2-carboxamide?
(2S)-N-(furan-2-ylsulfonyl)pyrrolidine-2-carboxamide has a molecular weight of 244.27 g/mol, XLogP of -0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(furan-2-ylsulfonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 102391407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).