N-[[(5R,7R)-2-cyclobutyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]cyclopropanesulfonamide

C16H28N2O3S — CID 97476591

IUPACN-[[(5R,7R)-2-cyclobutyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]cyclopropanesulfonamide
SMILESO=S(=O)(NC[C@H]1CCC[C@]2(CCN(C3CCC3)C2)O1)C1CC1
InChIInChI=1S/C16H28N2O3S/c19-22(20,15-6-7-15)17-11-14-5-2-8-16(21-14)9-10-18(12-16)13-3-1-4-13/h13-15,17H,1-12H2/t14-,16-/m1/s1
InChIKeyPUNLSZIWDIJRIY-GDBMZVCRSA-N
MW328.48 g/mol
LogP1.63
Rot. Bonds5

About N-[[(5R,7R)-2-cyclobutyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]cyclopropanesulfonamide

N-[[(5R,7R)-2-cyclobutyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]cyclopropanesulfonamide (PubChem CID 97476591) has the molecular formula C16H28N2O3S and a molecular weight of 328.48 g/mol. Its IUPAC name is N-[[(5R,7R)-2-cyclobutyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[[(5R,7R)-2-cyclobutyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]cyclopropanesulfonamide
PubChem CID97476591
Molecular FormulaC16H28N2O3S
Molecular Weight328.48 g/mol
Exact Mass328.18
IUPAC NameN-[[(5R,7R)-2-cyclobutyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]cyclopropanesulfonamide
SMILESO=S(=O)(NC[C@H]1CCC[C@]2(CCN(C3CCC3)C2)O1)C1CC1
InChIInChI=1S/C16H28N2O3S/c19-22(20,15-6-7-15)17-11-14-5-2-8-16(21-14)9-10-18(12-16)13-3-1-4-13/h13-15,17H,1-12H2/t14-,16-/m1/s1
InChIKeyPUNLSZIWDIJRIY-GDBMZVCRSA-N
XLogP1.63
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[(5R,7R)-2-cyclobutyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]cyclopropanesulfonamide with MolForge

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Related Compounds

N-[[(5S,7R)-2-propan-2-yl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]cyclopropanesulfonamide
CID 124821189
N-[[(5R,7S)-2-(oxan-4-yl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid
CID 155847855
(5S,7S)-2-cyclobutyl-7-[(4-methylpiperazin-1-yl)methyl]-6-oxa-2-azaspiro[4.5]decane
CID 124811490
N-[[(5R,7S)-2-cyclopentyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]-1-methylpyrrole-2-carboxamide
CID 97476595
N-[[(5S,7S)-2-cyclopentyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]-1-methylpyrrole-2-carboxamide
CID 124816768
N-[[(5R,7R)-2-cyclopentyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]pyrimidin-2-amine;bis(2,2,2-trifluoroacetic acid)
CID 155852719
N-[[(5R,7R)-2-cyclobutyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 155855697
N-[[(5R,7S)-2-(2-ethoxyacetyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide
CID 97475500
N-[[(5R,7S)-2-(2-methoxyacetyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide
CID 97475247
N-[[(5R,7R)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide
CID 97476555
N-[[(5S,7S)-2-(pyridin-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]ethanesulfonamide
CID 124895675
N-[[(5R,7R)-2-(1,3-thiazol-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide
CID 97474642

Frequently Asked Questions

What is the IUPAC name of N-[[(5R,7R)-2-cyclobutyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]cyclopropanesulfonamide?
The IUPAC name of N-[[(5R,7R)-2-cyclobutyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]cyclopropanesulfonamide (CID 97476591) is N-[[(5R,7R)-2-cyclobutyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[[(5R,7R)-2-cyclobutyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]cyclopropanesulfonamide?
The canonical SMILES for N-[[(5R,7R)-2-cyclobutyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]cyclopropanesulfonamide is O=S(=O)(NC[C@H]1CCC[C@]2(CCN(C3CCC3)C2)O1)C1CC1.
What is the InChIKey of N-[[(5R,7R)-2-cyclobutyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]cyclopropanesulfonamide?
The InChIKey is PUNLSZIWDIJRIY-GDBMZVCRSA-N. The full InChI is InChI=1S/C16H28N2O3S/c19-22(20,15-6-7-15)17-11-14-5-2-8-16(21-14)9-10-18(12-16)13-3-1-4-13/h13-15,17H,1-12H2/t14-,16-/m1/s1.
What are the key properties of N-[[(5R,7R)-2-cyclobutyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]cyclopropanesulfonamide?
N-[[(5R,7R)-2-cyclobutyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]cyclopropanesulfonamide has a molecular weight of 328.48 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5R,7R)-2-cyclobutyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]cyclopropanesulfonamide is sourced from PubChem (CID 97476591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).