N-[(5R,9S)-2-(oxane-4-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide

C15H26N2O5S — CID 97423427

IUPACN-[(5R,9S)-2-(oxane-4-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@H]1CCO[C@]2(CCN(C(=O)C3CCOCC3)C2)C1
InChIInChI=1S/C15H26N2O5S/c1-23(19,20)16-13-4-9-22-15(10-13)5-6-17(11-15)14(18)12-2-7-21-8-3-12/h12-13,16H,2-11H2,1H3/t13-,15+/m0/s1
InChIKeyXGCNEJFGXGZNIO-DZGCQCFKSA-N
MW346.45 g/mol
LogP0.11
Rot. Bonds3

About N-[(5R,9S)-2-(oxane-4-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide

N-[(5R,9S)-2-(oxane-4-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide (PubChem CID 97423427) has the molecular formula C15H26N2O5S and a molecular weight of 346.45 g/mol. Its IUPAC name is N-[(5R,9S)-2-(oxane-4-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(5R,9S)-2-(oxane-4-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide
PubChem CID97423427
Molecular FormulaC15H26N2O5S
Molecular Weight346.45 g/mol
Exact Mass346.16
IUPAC NameN-[(5R,9S)-2-(oxane-4-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@H]1CCO[C@]2(CCN(C(=O)C3CCOCC3)C2)C1
InChIInChI=1S/C15H26N2O5S/c1-23(19,20)16-13-4-9-22-15(10-13)5-6-17(11-15)14(18)12-2-7-21-8-3-12/h12-13,16H,2-11H2,1H3/t13-,15+/m0/s1
InChIKeyXGCNEJFGXGZNIO-DZGCQCFKSA-N
XLogP0.11
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5R,9S)-2-(oxane-4-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide?
The IUPAC name of N-[(5R,9S)-2-(oxane-4-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide (CID 97423427) is N-[(5R,9S)-2-(oxane-4-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide.
What is the SMILES notation for N-[(5R,9S)-2-(oxane-4-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide?
The canonical SMILES for N-[(5R,9S)-2-(oxane-4-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide is CS(=O)(=O)N[C@H]1CCO[C@]2(CCN(C(=O)C3CCOCC3)C2)C1.
What is the InChIKey of N-[(5R,9S)-2-(oxane-4-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide?
The InChIKey is XGCNEJFGXGZNIO-DZGCQCFKSA-N. The full InChI is InChI=1S/C15H26N2O5S/c1-23(19,20)16-13-4-9-22-15(10-13)5-6-17(11-15)14(18)12-2-7-21-8-3-12/h12-13,16H,2-11H2,1H3/t13-,15+/m0/s1.
What are the key properties of N-[(5R,9S)-2-(oxane-4-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide?
N-[(5R,9S)-2-(oxane-4-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide has a molecular weight of 346.45 g/mol, XLogP of 0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5R,9S)-2-(oxane-4-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide is sourced from PubChem (CID 97423427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).