(1R,5R)-N,N-dimethyl-6-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide

C14H25N5O3S2 — CID 70774588

IUPAC(1R,5R)-N,N-dimethyl-6-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide
SMILESCSCc1noc(CN2C[C@H]3CC[C@@H]2CN(S(=O)(=O)N(C)C)C3)n1
InChIInChI=1S/C14H25N5O3S2/c1-17(2)24(20,21)19-7-11-4-5-12(8-19)18(6-11)9-14-15-13(10-23-3)16-22-14/h11-12H,4-10H2,1-3H3/t11-,12-/m1/s1
InChIKeyCAHDFUIEDXRUSZ-VXGBXAGGSA-N
MW375.52 g/mol
LogP0.64
Rot. Bonds6

About (1R,5R)-N,N-dimethyl-6-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide

(1R,5R)-N,N-dimethyl-6-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide (PubChem CID 70774588) has the molecular formula C14H25N5O3S2 and a molecular weight of 375.52 g/mol. Its IUPAC name is (1R,5R)-N,N-dimethyl-6-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide.

Molecular Properties

Compound Name(1R,5R)-N,N-dimethyl-6-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide
PubChem CID70774588
Molecular FormulaC14H25N5O3S2
Molecular Weight375.52 g/mol
Exact Mass375.14
IUPAC Name(1R,5R)-N,N-dimethyl-6-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide
SMILESCSCc1noc(CN2C[C@H]3CC[C@@H]2CN(S(=O)(=O)N(C)C)C3)n1
InChIInChI=1S/C14H25N5O3S2/c1-17(2)24(20,21)19-7-11-4-5-12(8-19)18(6-11)9-14-15-13(10-23-3)16-22-14/h11-12H,4-10H2,1-3H3/t11-,12-/m1/s1
InChIKeyCAHDFUIEDXRUSZ-VXGBXAGGSA-N
XLogP0.64
TPSA82.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (1R,5R)-N,N-dimethyl-6-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,5R)-N,N-dimethyl-6-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide?
The IUPAC name of (1R,5R)-N,N-dimethyl-6-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide (CID 70774588) is (1R,5R)-N,N-dimethyl-6-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide.
What is the SMILES notation for (1R,5R)-N,N-dimethyl-6-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide?
The canonical SMILES for (1R,5R)-N,N-dimethyl-6-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide is CSCc1noc(CN2C[C@H]3CC[C@@H]2CN(S(=O)(=O)N(C)C)C3)n1.
What is the InChIKey of (1R,5R)-N,N-dimethyl-6-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide?
The InChIKey is CAHDFUIEDXRUSZ-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H25N5O3S2/c1-17(2)24(20,21)19-7-11-4-5-12(8-19)18(6-11)9-14-15-13(10-23-3)16-22-14/h11-12H,4-10H2,1-3H3/t11-,12-/m1/s1.
What are the key properties of (1R,5R)-N,N-dimethyl-6-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide?
(1R,5R)-N,N-dimethyl-6-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide has a molecular weight of 375.52 g/mol, XLogP of 0.64, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-N,N-dimethyl-6-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide is sourced from PubChem (CID 70774588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).