(3S,5S)-N,N-dimethyl-3-[(6-methyl-2-pyridinyl)methoxy]-1-oxa-7-azaspiro[4.4]nonane-7-sulfonamide

C16H25N3O4S — CID 97419858

IUPAC(3S,5S)-N,N-dimethyl-3-[(6-methyl-2-pyridinyl)methoxy]-1-oxa-7-azaspiro[4.4]nonane-7-sulfonamide
SMILESCc1cccc(CO[C@@H]2CO[C@@]3(CCN(S(=O)(=O)N(C)C)C3)C2)n1
InChIInChI=1S/C16H25N3O4S/c1-13-5-4-6-14(17-13)10-22-15-9-16(23-11-15)7-8-19(12-16)24(20,21)18(2)3/h4-6,15H,7-12H2,1-3H3/t15-,16-/m0/s1
InChIKeyZDOLBGYIFOLFAX-HOTGVXAUSA-N
MW355.46 g/mol
LogP0.95
Rot. Bonds5

About (3S,5S)-N,N-dimethyl-3-[(6-methyl-2-pyridinyl)methoxy]-1-oxa-7-azaspiro[4.4]nonane-7-sulfonamide

(3S,5S)-N,N-dimethyl-3-[(6-methyl-2-pyridinyl)methoxy]-1-oxa-7-azaspiro[4.4]nonane-7-sulfonamide (PubChem CID 97419858) has the molecular formula C16H25N3O4S and a molecular weight of 355.46 g/mol. Its IUPAC name is (3S,5S)-N,N-dimethyl-3-[(6-methyl-2-pyridinyl)methoxy]-1-oxa-7-azaspiro[4.4]nonane-7-sulfonamide.

Molecular Properties

Compound Name(3S,5S)-N,N-dimethyl-3-[(6-methyl-2-pyridinyl)methoxy]-1-oxa-7-azaspiro[4.4]nonane-7-sulfonamide
PubChem CID97419858
Molecular FormulaC16H25N3O4S
Molecular Weight355.46 g/mol
Exact Mass355.16
IUPAC Name(3S,5S)-N,N-dimethyl-3-[(6-methyl-2-pyridinyl)methoxy]-1-oxa-7-azaspiro[4.4]nonane-7-sulfonamide
SMILESCc1cccc(CO[C@@H]2CO[C@@]3(CCN(S(=O)(=O)N(C)C)C3)C2)n1
InChIInChI=1S/C16H25N3O4S/c1-13-5-4-6-14(17-13)10-22-15-9-16(23-11-15)7-8-19(12-16)24(20,21)18(2)3/h4-6,15H,7-12H2,1-3H3/t15-,16-/m0/s1
InChIKeyZDOLBGYIFOLFAX-HOTGVXAUSA-N
XLogP0.95
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S,5S)-N,N-dimethyl-3-[(6-methyl-2-pyridinyl)methoxy]-1-oxa-7-azaspiro[4.4]nonane-7-sulfonamide?
The IUPAC name of (3S,5S)-N,N-dimethyl-3-[(6-methyl-2-pyridinyl)methoxy]-1-oxa-7-azaspiro[4.4]nonane-7-sulfonamide (CID 97419858) is (3S,5S)-N,N-dimethyl-3-[(6-methyl-2-pyridinyl)methoxy]-1-oxa-7-azaspiro[4.4]nonane-7-sulfonamide.
What is the SMILES notation for (3S,5S)-N,N-dimethyl-3-[(6-methyl-2-pyridinyl)methoxy]-1-oxa-7-azaspiro[4.4]nonane-7-sulfonamide?
The canonical SMILES for (3S,5S)-N,N-dimethyl-3-[(6-methyl-2-pyridinyl)methoxy]-1-oxa-7-azaspiro[4.4]nonane-7-sulfonamide is Cc1cccc(CO[C@@H]2CO[C@@]3(CCN(S(=O)(=O)N(C)C)C3)C2)n1.
What is the InChIKey of (3S,5S)-N,N-dimethyl-3-[(6-methyl-2-pyridinyl)methoxy]-1-oxa-7-azaspiro[4.4]nonane-7-sulfonamide?
The InChIKey is ZDOLBGYIFOLFAX-HOTGVXAUSA-N. The full InChI is InChI=1S/C16H25N3O4S/c1-13-5-4-6-14(17-13)10-22-15-9-16(23-11-15)7-8-19(12-16)24(20,21)18(2)3/h4-6,15H,7-12H2,1-3H3/t15-,16-/m0/s1.
What are the key properties of (3S,5S)-N,N-dimethyl-3-[(6-methyl-2-pyridinyl)methoxy]-1-oxa-7-azaspiro[4.4]nonane-7-sulfonamide?
(3S,5S)-N,N-dimethyl-3-[(6-methyl-2-pyridinyl)methoxy]-1-oxa-7-azaspiro[4.4]nonane-7-sulfonamide has a molecular weight of 355.46 g/mol, XLogP of 0.95, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-N,N-dimethyl-3-[(6-methyl-2-pyridinyl)methoxy]-1-oxa-7-azaspiro[4.4]nonane-7-sulfonamide is sourced from PubChem (CID 97419858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).