N-[[(5R,7S)-2-(oxan-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide

C16H30N2O4S — CID 97476001

IUPACN-[[(5R,7S)-2-(oxan-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NC[C@@H]1CCC[C@]2(CCN(CC3CCOCC3)C2)O1
InChIInChI=1S/C16H30N2O4S/c1-23(19,20)17-11-15-3-2-6-16(22-15)7-8-18(13-16)12-14-4-9-21-10-5-14/h14-15,17H,2-13H2,1H3/t15-,16+/m0/s1
InChIKeyCDVFHCDKRAOWLI-JKSUJKDBSA-N
MW346.49 g/mol
LogP0.98
Rot. Bonds5

About N-[[(5R,7S)-2-(oxan-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide

N-[[(5R,7S)-2-(oxan-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide (PubChem CID 97476001) has the molecular formula C16H30N2O4S and a molecular weight of 346.49 g/mol. Its IUPAC name is N-[[(5R,7S)-2-(oxan-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[(5R,7S)-2-(oxan-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide
PubChem CID97476001
Molecular FormulaC16H30N2O4S
Molecular Weight346.49 g/mol
Exact Mass346.19
IUPAC NameN-[[(5R,7S)-2-(oxan-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NC[C@@H]1CCC[C@]2(CCN(CC3CCOCC3)C2)O1
InChIInChI=1S/C16H30N2O4S/c1-23(19,20)17-11-15-3-2-6-16(22-15)7-8-18(13-16)12-14-4-9-21-10-5-14/h14-15,17H,2-13H2,1H3/t15-,16+/m0/s1
InChIKeyCDVFHCDKRAOWLI-JKSUJKDBSA-N
XLogP0.98
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.49
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(5R,7S)-2-(oxan-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[(5R,7S)-2-(oxan-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide (CID 97476001) is N-[[(5R,7S)-2-(oxan-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[(5R,7S)-2-(oxan-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[(5R,7S)-2-(oxan-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide is CS(=O)(=O)NC[C@@H]1CCC[C@]2(CCN(CC3CCOCC3)C2)O1.
What is the InChIKey of N-[[(5R,7S)-2-(oxan-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide?
The InChIKey is CDVFHCDKRAOWLI-JKSUJKDBSA-N. The full InChI is InChI=1S/C16H30N2O4S/c1-23(19,20)17-11-15-3-2-6-16(22-15)7-8-18(13-16)12-14-4-9-21-10-5-14/h14-15,17H,2-13H2,1H3/t15-,16+/m0/s1.
What are the key properties of N-[[(5R,7S)-2-(oxan-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide?
N-[[(5R,7S)-2-(oxan-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide has a molecular weight of 346.49 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5R,7S)-2-(oxan-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide is sourced from PubChem (CID 97476001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).