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

C13H21N5O3S2 — CID 133138569

IUPAC(1S,5S)-N,N-dimethyl-6-(4-methylthiadiazole-5-carbonyl)-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide
SMILESCc1nnsc1C(=O)N1C[C@@H]2CC[C@H]1CN(S(=O)(=O)N(C)C)C2
InChIInChI=1S/C13H21N5O3S2/c1-9-12(22-15-14-9)13(19)18-7-10-4-5-11(18)8-17(6-10)23(20,21)16(2)3/h10-11H,4-8H2,1-3H3/t10-,11+/m1/s1
InChIKeySVMLCXJWLHKERF-MNOVXSKESA-N
MW359.48 g/mol
LogP0.19
Rot. Bonds3

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

(1S,5S)-N,N-dimethyl-6-(4-methylthiadiazole-5-carbonyl)-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide (PubChem CID 133138569) has the molecular formula C13H21N5O3S2 and a molecular weight of 359.48 g/mol. Its IUPAC name is (1S,5S)-N,N-dimethyl-6-(4-methylthiadiazole-5-carbonyl)-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide.

Molecular Properties

Compound Name(1S,5S)-N,N-dimethyl-6-(4-methylthiadiazole-5-carbonyl)-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide
PubChem CID133138569
Molecular FormulaC13H21N5O3S2
Molecular Weight359.48 g/mol
Exact Mass359.11
IUPAC Name(1S,5S)-N,N-dimethyl-6-(4-methylthiadiazole-5-carbonyl)-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide
SMILESCc1nnsc1C(=O)N1C[C@@H]2CC[C@H]1CN(S(=O)(=O)N(C)C)C2
InChIInChI=1S/C13H21N5O3S2/c1-9-12(22-15-14-9)13(19)18-7-10-4-5-11(18)8-17(6-10)23(20,21)16(2)3/h10-11H,4-8H2,1-3H3/t10-,11+/m1/s1
InChIKeySVMLCXJWLHKERF-MNOVXSKESA-N
XLogP0.19
TPSA86.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1S,5S)-N,N-dimethyl-6-(4-methylthiadiazole-5-carbonyl)-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide?
The IUPAC name of (1S,5S)-N,N-dimethyl-6-(4-methylthiadiazole-5-carbonyl)-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide (CID 133138569) is (1S,5S)-N,N-dimethyl-6-(4-methylthiadiazole-5-carbonyl)-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide.
What is the SMILES notation for (1S,5S)-N,N-dimethyl-6-(4-methylthiadiazole-5-carbonyl)-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide?
The canonical SMILES for (1S,5S)-N,N-dimethyl-6-(4-methylthiadiazole-5-carbonyl)-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide is Cc1nnsc1C(=O)N1C[C@@H]2CC[C@H]1CN(S(=O)(=O)N(C)C)C2.
What is the InChIKey of (1S,5S)-N,N-dimethyl-6-(4-methylthiadiazole-5-carbonyl)-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide?
The InChIKey is SVMLCXJWLHKERF-MNOVXSKESA-N. The full InChI is InChI=1S/C13H21N5O3S2/c1-9-12(22-15-14-9)13(19)18-7-10-4-5-11(18)8-17(6-10)23(20,21)16(2)3/h10-11H,4-8H2,1-3H3/t10-,11+/m1/s1.
What are the key properties of (1S,5S)-N,N-dimethyl-6-(4-methylthiadiazole-5-carbonyl)-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide?
(1S,5S)-N,N-dimethyl-6-(4-methylthiadiazole-5-carbonyl)-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide has a molecular weight of 359.48 g/mol, XLogP of 0.19, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S)-N,N-dimethyl-6-(4-methylthiadiazole-5-carbonyl)-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide is sourced from PubChem (CID 133138569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).