(1R,5R)-N,N-dimethyl-6-[3-(tetrazol-1-yl)propanoyl]-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide

C13H23N7O3S — CID 70721224

IUPAC(1R,5R)-N,N-dimethyl-6-[3-(tetrazol-1-yl)propanoyl]-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide
SMILESCN(C)S(=O)(=O)N1C[C@@H]2CC[C@H](C1)N(C(=O)CCn1cnnn1)C2
InChIInChI=1S/C13H23N7O3S/c1-17(2)24(22,23)19-7-11-3-4-12(9-19)20(8-11)13(21)5-6-18-10-14-15-16-18/h10-12H,3-9H2,1-2H3/t11-,12+/m0/s1
InChIKeyZLONZPSIQJNHTL-NWDGAFQWSA-N
MW357.44 g/mol
LogP-1.21
Rot. Bonds5

About (1R,5R)-N,N-dimethyl-6-[3-(tetrazol-1-yl)propanoyl]-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide

(1R,5R)-N,N-dimethyl-6-[3-(tetrazol-1-yl)propanoyl]-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide (PubChem CID 70721224) has the molecular formula C13H23N7O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is (1R,5R)-N,N-dimethyl-6-[3-(tetrazol-1-yl)propanoyl]-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide.

Molecular Properties

Compound Name(1R,5R)-N,N-dimethyl-6-[3-(tetrazol-1-yl)propanoyl]-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide
PubChem CID70721224
Molecular FormulaC13H23N7O3S
Molecular Weight357.44 g/mol
Exact Mass357.16
IUPAC Name(1R,5R)-N,N-dimethyl-6-[3-(tetrazol-1-yl)propanoyl]-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide
SMILESCN(C)S(=O)(=O)N1C[C@@H]2CC[C@H](C1)N(C(=O)CCn1cnnn1)C2
InChIInChI=1S/C13H23N7O3S/c1-17(2)24(22,23)19-7-11-3-4-12(9-19)20(8-11)13(21)5-6-18-10-14-15-16-18/h10-12H,3-9H2,1-2H3/t11-,12+/m0/s1
InChIKeyZLONZPSIQJNHTL-NWDGAFQWSA-N
XLogP-1.21
TPSA104.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 5-1.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (1R,5R)-N,N-dimethyl-6-[3-(tetrazol-1-yl)propanoyl]-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide?
The IUPAC name of (1R,5R)-N,N-dimethyl-6-[3-(tetrazol-1-yl)propanoyl]-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide (CID 70721224) is (1R,5R)-N,N-dimethyl-6-[3-(tetrazol-1-yl)propanoyl]-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide.
What is the SMILES notation for (1R,5R)-N,N-dimethyl-6-[3-(tetrazol-1-yl)propanoyl]-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide?
The canonical SMILES for (1R,5R)-N,N-dimethyl-6-[3-(tetrazol-1-yl)propanoyl]-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide is CN(C)S(=O)(=O)N1C[C@@H]2CC[C@H](C1)N(C(=O)CCn1cnnn1)C2.
What is the InChIKey of (1R,5R)-N,N-dimethyl-6-[3-(tetrazol-1-yl)propanoyl]-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide?
The InChIKey is ZLONZPSIQJNHTL-NWDGAFQWSA-N. The full InChI is InChI=1S/C13H23N7O3S/c1-17(2)24(22,23)19-7-11-3-4-12(9-19)20(8-11)13(21)5-6-18-10-14-15-16-18/h10-12H,3-9H2,1-2H3/t11-,12+/m0/s1.
What are the key properties of (1R,5R)-N,N-dimethyl-6-[3-(tetrazol-1-yl)propanoyl]-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide?
(1R,5R)-N,N-dimethyl-6-[3-(tetrazol-1-yl)propanoyl]-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide has a molecular weight of 357.44 g/mol, XLogP of -1.21, 5 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-(tetrazol-1-yl)propanoyl]-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide is sourced from PubChem (CID 70721224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).