(3S,5R)-3-(cyclopropylmethoxy)-N,N-dimethyl-1-oxa-9-azaspiro[4.5]decane-9-sulfonamide

C14H26N2O4S — CID 124802411

IUPAC(3S,5R)-3-(cyclopropylmethoxy)-N,N-dimethyl-1-oxa-9-azaspiro[4.5]decane-9-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC[C@@]2(C[C@H](OCC3CC3)CO2)C1
InChIInChI=1S/C14H26N2O4S/c1-15(2)21(17,18)16-7-3-6-14(11-16)8-13(10-20-14)19-9-12-4-5-12/h12-13H,3-11H2,1-2H3/t13-,14+/m0/s1
InChIKeyOVEGMDVHOJTIDI-UONOGXRCSA-N
MW318.44 g/mol
LogP0.84
Rot. Bonds5

About (3S,5R)-3-(cyclopropylmethoxy)-N,N-dimethyl-1-oxa-9-azaspiro[4.5]decane-9-sulfonamide

(3S,5R)-3-(cyclopropylmethoxy)-N,N-dimethyl-1-oxa-9-azaspiro[4.5]decane-9-sulfonamide (PubChem CID 124802411) has the molecular formula C14H26N2O4S and a molecular weight of 318.44 g/mol. Its IUPAC name is (3S,5R)-3-(cyclopropylmethoxy)-N,N-dimethyl-1-oxa-9-azaspiro[4.5]decane-9-sulfonamide.

Molecular Properties

Compound Name(3S,5R)-3-(cyclopropylmethoxy)-N,N-dimethyl-1-oxa-9-azaspiro[4.5]decane-9-sulfonamide
PubChem CID124802411
Molecular FormulaC14H26N2O4S
Molecular Weight318.44 g/mol
Exact Mass318.16
IUPAC Name(3S,5R)-3-(cyclopropylmethoxy)-N,N-dimethyl-1-oxa-9-azaspiro[4.5]decane-9-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC[C@@]2(C[C@H](OCC3CC3)CO2)C1
InChIInChI=1S/C14H26N2O4S/c1-15(2)21(17,18)16-7-3-6-14(11-16)8-13(10-20-14)19-9-12-4-5-12/h12-13H,3-11H2,1-2H3/t13-,14+/m0/s1
InChIKeyOVEGMDVHOJTIDI-UONOGXRCSA-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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Related Compounds

3-(cyclopropylmethoxy)-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decane-8-sulfonamide
CID 118739208
[(3R,5S)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrrolidin-1-ylmethanone
CID 97419485
(3R,5S)-9-ethylsulfonyl-3-(2-pyrrolidin-1-ylethoxy)-1-oxa-9-azaspiro[4.5]decane
CID 97482295
(3S,5S)-3-(cyclopropylmethoxy)-9-pyrimidin-2-yl-1-oxa-9-azaspiro[4.5]decane
CID 124521959
(3R)-8-ethylsulfonyl-3-(oxan-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane
CID 97474992
(3R,5R)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decane
CID 97489671
(3S,5R)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decane;hydrochloride
CID 155846490
2-(cyclohexen-1-yl)-1-[(3S,5S)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone
CID 97419722
(3R,5S)-3-(cyclopropylmethoxy)-9-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-oxa-9-azaspiro[4.5]decane
CID 97485654
3-(cyclopropylmethoxy)-9-(1,3,4-thiadiazol-2-yl)-1-oxa-9-azaspiro[4.5]decane
CID 131652504
[(3R,5R)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(6-methyl-2-pyridinyl)methanone
CID 124813665
[(3S,5S)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(6-methyl-2-pyridinyl)methanone
CID 97419705

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-3-(cyclopropylmethoxy)-N,N-dimethyl-1-oxa-9-azaspiro[4.5]decane-9-sulfonamide?
The IUPAC name of (3S,5R)-3-(cyclopropylmethoxy)-N,N-dimethyl-1-oxa-9-azaspiro[4.5]decane-9-sulfonamide (CID 124802411) is (3S,5R)-3-(cyclopropylmethoxy)-N,N-dimethyl-1-oxa-9-azaspiro[4.5]decane-9-sulfonamide.
What is the SMILES notation for (3S,5R)-3-(cyclopropylmethoxy)-N,N-dimethyl-1-oxa-9-azaspiro[4.5]decane-9-sulfonamide?
The canonical SMILES for (3S,5R)-3-(cyclopropylmethoxy)-N,N-dimethyl-1-oxa-9-azaspiro[4.5]decane-9-sulfonamide is CN(C)S(=O)(=O)N1CCC[C@@]2(C[C@H](OCC3CC3)CO2)C1.
What is the InChIKey of (3S,5R)-3-(cyclopropylmethoxy)-N,N-dimethyl-1-oxa-9-azaspiro[4.5]decane-9-sulfonamide?
The InChIKey is OVEGMDVHOJTIDI-UONOGXRCSA-N. The full InChI is InChI=1S/C14H26N2O4S/c1-15(2)21(17,18)16-7-3-6-14(11-16)8-13(10-20-14)19-9-12-4-5-12/h12-13H,3-11H2,1-2H3/t13-,14+/m0/s1.
What are the key properties of (3S,5R)-3-(cyclopropylmethoxy)-N,N-dimethyl-1-oxa-9-azaspiro[4.5]decane-9-sulfonamide?
(3S,5R)-3-(cyclopropylmethoxy)-N,N-dimethyl-1-oxa-9-azaspiro[4.5]decane-9-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 (3S,5R)-3-(cyclopropylmethoxy)-N,N-dimethyl-1-oxa-9-azaspiro[4.5]decane-9-sulfonamide is sourced from PubChem (CID 124802411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).