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

C17H30N2O4S — CID 97420148

IUPACN-[(5R,9R)-2-(oxan-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide
SMILESO=S(=O)(N[C@@H]1CCO[C@]2(CCN(CC3CCOCC3)C2)C1)C1CC1
InChIInChI=1S/C17H30N2O4S/c20-24(21,16-1-2-16)18-15-5-10-23-17(11-15)6-7-19(13-17)12-14-3-8-22-9-4-14/h14-16,18H,1-13H2/t15-,17-/m1/s1
InChIKeyYVBOFTZGPKYLRU-NVXWUHKLSA-N
MW358.50 g/mol
LogP1.12
Rot. Bonds5

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

N-[(5R,9R)-2-(oxan-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide (PubChem CID 97420148) has the molecular formula C17H30N2O4S and a molecular weight of 358.50 g/mol. Its IUPAC name is N-[(5R,9R)-2-(oxan-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[(5R,9R)-2-(oxan-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide
PubChem CID97420148
Molecular FormulaC17H30N2O4S
Molecular Weight358.50 g/mol
Exact Mass358.19
IUPAC NameN-[(5R,9R)-2-(oxan-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide
SMILESO=S(=O)(N[C@@H]1CCO[C@]2(CCN(CC3CCOCC3)C2)C1)C1CC1
InChIInChI=1S/C17H30N2O4S/c20-24(21,16-1-2-16)18-15-5-10-23-17(11-15)6-7-19(13-17)12-14-3-8-22-9-4-14/h14-16,18H,1-13H2/t15-,17-/m1/s1
InChIKeyYVBOFTZGPKYLRU-NVXWUHKLSA-N
XLogP1.12
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.50
LogP ≤ 51.12
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]cyclopropanesulfonamide?
The IUPAC name of N-[(5R,9R)-2-(oxan-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide (CID 97420148) is N-[(5R,9R)-2-(oxan-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide.
What is the SMILES notation for N-[(5R,9R)-2-(oxan-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide?
The canonical SMILES for N-[(5R,9R)-2-(oxan-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide is O=S(=O)(N[C@@H]1CCO[C@]2(CCN(CC3CCOCC3)C2)C1)C1CC1.
What is the InChIKey of N-[(5R,9R)-2-(oxan-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide?
The InChIKey is YVBOFTZGPKYLRU-NVXWUHKLSA-N. The full InChI is InChI=1S/C17H30N2O4S/c20-24(21,16-1-2-16)18-15-5-10-23-17(11-15)6-7-19(13-17)12-14-3-8-22-9-4-14/h14-16,18H,1-13H2/t15-,17-/m1/s1.
What are the key properties of N-[(5R,9R)-2-(oxan-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide?
N-[(5R,9R)-2-(oxan-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide has a molecular weight of 358.50 g/mol, XLogP of 1.12, 5 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]cyclopropanesulfonamide is sourced from PubChem (CID 97420148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).