(3S)-1-[[(2R)-1-oxaspiro[4.5]decan-2-yl]methyl]-N-propan-2-ylpyrrolidine-3-sulfonamide

C17H32N2O3S — CID 124862339

IUPAC(3S)-1-[[(2R)-1-oxaspiro[4.5]decan-2-yl]methyl]-N-propan-2-ylpyrrolidine-3-sulfonamide
SMILESCC(C)NS(=O)(=O)[C@H]1CCN(C[C@H]2CCC3(CCCCC3)O2)C1
InChIInChI=1S/C17H32N2O3S/c1-14(2)18-23(20,21)16-7-11-19(13-16)12-15-6-10-17(22-15)8-4-3-5-9-17/h14-16,18H,3-13H2,1-2H3/t15-,16+/m1/s1
InChIKeyMMKVUHQXMSQELA-CVEARBPZSA-N
MW344.52 g/mol
LogP2.27
Rot. Bonds5

About (3S)-1-[[(2R)-1-oxaspiro[4.5]decan-2-yl]methyl]-N-propan-2-ylpyrrolidine-3-sulfonamide

(3S)-1-[[(2R)-1-oxaspiro[4.5]decan-2-yl]methyl]-N-propan-2-ylpyrrolidine-3-sulfonamide (PubChem CID 124862339) has the molecular formula C17H32N2O3S and a molecular weight of 344.52 g/mol. Its IUPAC name is (3S)-1-[[(2R)-1-oxaspiro[4.5]decan-2-yl]methyl]-N-propan-2-ylpyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name(3S)-1-[[(2R)-1-oxaspiro[4.5]decan-2-yl]methyl]-N-propan-2-ylpyrrolidine-3-sulfonamide
PubChem CID124862339
Molecular FormulaC17H32N2O3S
Molecular Weight344.52 g/mol
Exact Mass344.21
IUPAC Name(3S)-1-[[(2R)-1-oxaspiro[4.5]decan-2-yl]methyl]-N-propan-2-ylpyrrolidine-3-sulfonamide
SMILESCC(C)NS(=O)(=O)[C@H]1CCN(C[C@H]2CCC3(CCCCC3)O2)C1
InChIInChI=1S/C17H32N2O3S/c1-14(2)18-23(20,21)16-7-11-19(13-16)12-15-6-10-17(22-15)8-4-3-5-9-17/h14-16,18H,3-13H2,1-2H3/t15-,16+/m1/s1
InChIKeyMMKVUHQXMSQELA-CVEARBPZSA-N
XLogP2.27
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.52
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[[(2R)-1-oxaspiro[4.5]decan-2-yl]methyl]-N-propan-2-ylpyrrolidine-3-sulfonamide?
The IUPAC name of (3S)-1-[[(2R)-1-oxaspiro[4.5]decan-2-yl]methyl]-N-propan-2-ylpyrrolidine-3-sulfonamide (CID 124862339) is (3S)-1-[[(2R)-1-oxaspiro[4.5]decan-2-yl]methyl]-N-propan-2-ylpyrrolidine-3-sulfonamide.
What is the SMILES notation for (3S)-1-[[(2R)-1-oxaspiro[4.5]decan-2-yl]methyl]-N-propan-2-ylpyrrolidine-3-sulfonamide?
The canonical SMILES for (3S)-1-[[(2R)-1-oxaspiro[4.5]decan-2-yl]methyl]-N-propan-2-ylpyrrolidine-3-sulfonamide is CC(C)NS(=O)(=O)[C@H]1CCN(C[C@H]2CCC3(CCCCC3)O2)C1.
What is the InChIKey of (3S)-1-[[(2R)-1-oxaspiro[4.5]decan-2-yl]methyl]-N-propan-2-ylpyrrolidine-3-sulfonamide?
The InChIKey is MMKVUHQXMSQELA-CVEARBPZSA-N. The full InChI is InChI=1S/C17H32N2O3S/c1-14(2)18-23(20,21)16-7-11-19(13-16)12-15-6-10-17(22-15)8-4-3-5-9-17/h14-16,18H,3-13H2,1-2H3/t15-,16+/m1/s1.
What are the key properties of (3S)-1-[[(2R)-1-oxaspiro[4.5]decan-2-yl]methyl]-N-propan-2-ylpyrrolidine-3-sulfonamide?
(3S)-1-[[(2R)-1-oxaspiro[4.5]decan-2-yl]methyl]-N-propan-2-ylpyrrolidine-3-sulfonamide has a molecular weight of 344.52 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[[(2R)-1-oxaspiro[4.5]decan-2-yl]methyl]-N-propan-2-ylpyrrolidine-3-sulfonamide is sourced from PubChem (CID 124862339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).