N-[(5R,9R)-2-(oxan-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide

C15H28N2O4S — CID 97420134

IUPACN-[(5R,9R)-2-(oxan-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@@H]1CCO[C@]2(CCN(CC3CCOCC3)C2)C1
InChIInChI=1S/C15H28N2O4S/c1-22(18,19)16-14-4-9-21-15(10-14)5-6-17(12-15)11-13-2-7-20-8-3-13/h13-14,16H,2-12H2,1H3/t14-,15-/m1/s1
InChIKeyVTKHFWUULBSARH-HUUCEWRRSA-N
MW332.47 g/mol
LogP0.59
Rot. Bonds4

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

N-[(5R,9R)-2-(oxan-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide (PubChem CID 97420134) has the molecular formula C15H28N2O4S and a molecular weight of 332.47 g/mol. Its IUPAC name is N-[(5R,9R)-2-(oxan-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(5R,9R)-2-(oxan-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide
PubChem CID97420134
Molecular FormulaC15H28N2O4S
Molecular Weight332.47 g/mol
Exact Mass332.18
IUPAC NameN-[(5R,9R)-2-(oxan-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@@H]1CCO[C@]2(CCN(CC3CCOCC3)C2)C1
InChIInChI=1S/C15H28N2O4S/c1-22(18,19)16-14-4-9-21-15(10-14)5-6-17(12-15)11-13-2-7-20-8-3-13/h13-14,16H,2-12H2,1H3/t14-,15-/m1/s1
InChIKeyVTKHFWUULBSARH-HUUCEWRRSA-N
XLogP0.59
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5R,9R)-2-(oxan-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide?
The IUPAC name of N-[(5R,9R)-2-(oxan-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide (CID 97420134) is N-[(5R,9R)-2-(oxan-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide.
What is the SMILES notation for N-[(5R,9R)-2-(oxan-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide?
The canonical SMILES for N-[(5R,9R)-2-(oxan-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide is CS(=O)(=O)N[C@@H]1CCO[C@]2(CCN(CC3CCOCC3)C2)C1.
What is the InChIKey of N-[(5R,9R)-2-(oxan-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide?
The InChIKey is VTKHFWUULBSARH-HUUCEWRRSA-N. The full InChI is InChI=1S/C15H28N2O4S/c1-22(18,19)16-14-4-9-21-15(10-14)5-6-17(12-15)11-13-2-7-20-8-3-13/h13-14,16H,2-12H2,1H3/t14-,15-/m1/s1.
What are the key properties of N-[(5R,9R)-2-(oxan-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide?
N-[(5R,9R)-2-(oxan-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide has a molecular weight of 332.47 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5R,9R)-2-(oxan-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide is sourced from PubChem (CID 97420134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).