(1R,5R)-6-(4-ethylthiadiazole-5-carbonyl)-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide

C14H23N5O3S2 — CID 72919634

IUPAC(1R,5R)-6-(4-ethylthiadiazole-5-carbonyl)-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide
SMILESCCc1nnsc1C(=O)N1C[C@H]2CC[C@@H]1CN(S(=O)(=O)N(C)C)C2
InChIInChI=1S/C14H23N5O3S2/c1-4-12-13(23-16-15-12)14(20)19-8-10-5-6-11(19)9-18(7-10)24(21,22)17(2)3/h10-11H,4-9H2,1-3H3/t10-,11+/m0/s1
InChIKeyIALRDISIOJHVAL-WDEREUQCSA-N
MW373.50 g/mol
LogP0.44
Rot. Bonds4

About (1R,5R)-6-(4-ethylthiadiazole-5-carbonyl)-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide

(1R,5R)-6-(4-ethylthiadiazole-5-carbonyl)-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide (PubChem CID 72919634) has the molecular formula C14H23N5O3S2 and a molecular weight of 373.50 g/mol. Its IUPAC name is (1R,5R)-6-(4-ethylthiadiazole-5-carbonyl)-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide.

Molecular Properties

Compound Name(1R,5R)-6-(4-ethylthiadiazole-5-carbonyl)-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide
PubChem CID72919634
Molecular FormulaC14H23N5O3S2
Molecular Weight373.50 g/mol
Exact Mass373.12
IUPAC Name(1R,5R)-6-(4-ethylthiadiazole-5-carbonyl)-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide
SMILESCCc1nnsc1C(=O)N1C[C@H]2CC[C@@H]1CN(S(=O)(=O)N(C)C)C2
InChIInChI=1S/C14H23N5O3S2/c1-4-12-13(23-16-15-12)14(20)19-8-10-5-6-11(19)9-18(7-10)24(21,22)17(2)3/h10-11H,4-9H2,1-3H3/t10-,11+/m0/s1
InChIKeyIALRDISIOJHVAL-WDEREUQCSA-N
XLogP0.44
TPSA86.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1R,5R)-6-(4-ethylthiadiazole-5-carbonyl)-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide?
The IUPAC name of (1R,5R)-6-(4-ethylthiadiazole-5-carbonyl)-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide (CID 72919634) is (1R,5R)-6-(4-ethylthiadiazole-5-carbonyl)-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide.
What is the SMILES notation for (1R,5R)-6-(4-ethylthiadiazole-5-carbonyl)-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide?
The canonical SMILES for (1R,5R)-6-(4-ethylthiadiazole-5-carbonyl)-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide is CCc1nnsc1C(=O)N1C[C@H]2CC[C@@H]1CN(S(=O)(=O)N(C)C)C2.
What is the InChIKey of (1R,5R)-6-(4-ethylthiadiazole-5-carbonyl)-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide?
The InChIKey is IALRDISIOJHVAL-WDEREUQCSA-N. The full InChI is InChI=1S/C14H23N5O3S2/c1-4-12-13(23-16-15-12)14(20)19-8-10-5-6-11(19)9-18(7-10)24(21,22)17(2)3/h10-11H,4-9H2,1-3H3/t10-,11+/m0/s1.
What are the key properties of (1R,5R)-6-(4-ethylthiadiazole-5-carbonyl)-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide?
(1R,5R)-6-(4-ethylthiadiazole-5-carbonyl)-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide has a molecular weight of 373.50 g/mol, XLogP of 0.44, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-6-(4-ethylthiadiazole-5-carbonyl)-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide is sourced from PubChem (CID 72919634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).