3-(cyclopropylmethoxy)-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decane-8-sulfonamide

C14H26N2O4S — CID 118739208

IUPAC3-(cyclopropylmethoxy)-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decane-8-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC2(CC1)CC(OCC1CC1)CO2
InChIInChI=1S/C14H26N2O4S/c1-15(2)21(17,18)16-7-5-14(6-8-16)9-13(11-20-14)19-10-12-3-4-12/h12-13H,3-11H2,1-2H3
InChIKeyHDQLJXVIYXTPEU-UHFFFAOYSA-N
MW318.44 g/mol
LogP0.84
Rot. Bonds5

About 3-(cyclopropylmethoxy)-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decane-8-sulfonamide

3-(cyclopropylmethoxy)-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decane-8-sulfonamide (PubChem CID 118739208) has the molecular formula C14H26N2O4S and a molecular weight of 318.44 g/mol. Its IUPAC name is 3-(cyclopropylmethoxy)-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decane-8-sulfonamide.

Molecular Properties

Compound Name3-(cyclopropylmethoxy)-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decane-8-sulfonamide
PubChem CID118739208
Molecular FormulaC14H26N2O4S
Molecular Weight318.44 g/mol
Exact Mass318.16
IUPAC Name3-(cyclopropylmethoxy)-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decane-8-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC2(CC1)CC(OCC1CC1)CO2
InChIInChI=1S/C14H26N2O4S/c1-15(2)21(17,18)16-7-5-14(6-8-16)9-13(11-20-14)19-10-12-3-4-12/h12-13H,3-11H2,1-2H3
InChIKeyHDQLJXVIYXTPEU-UHFFFAOYSA-N
XLogP0.84
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethoxy)-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decane-8-sulfonamide?
The IUPAC name of 3-(cyclopropylmethoxy)-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decane-8-sulfonamide (CID 118739208) is 3-(cyclopropylmethoxy)-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decane-8-sulfonamide.
What is the SMILES notation for 3-(cyclopropylmethoxy)-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decane-8-sulfonamide?
The canonical SMILES for 3-(cyclopropylmethoxy)-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decane-8-sulfonamide is CN(C)S(=O)(=O)N1CCC2(CC1)CC(OCC1CC1)CO2.
What is the InChIKey of 3-(cyclopropylmethoxy)-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decane-8-sulfonamide?
The InChIKey is HDQLJXVIYXTPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4S/c1-15(2)21(17,18)16-7-5-14(6-8-16)9-13(11-20-14)19-10-12-3-4-12/h12-13H,3-11H2,1-2H3.
What are the key properties of 3-(cyclopropylmethoxy)-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decane-8-sulfonamide?
3-(cyclopropylmethoxy)-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decane-8-sulfonamide has a molecular weight of 318.44 g/mol, XLogP of 0.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethoxy)-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decane-8-sulfonamide is sourced from PubChem (CID 118739208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).