N,N-dimethyl-4-[3-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]benzoyl]piperazine-1-sulfonamide

C20H28N6O3S — CID 92619844

IUPACN,N-dimethyl-4-[3-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]benzoyl]piperazine-1-sulfonamide
SMILESCc1nnc2n1C[C@@H](c1cccc(C(=O)N3CCN(S(=O)(=O)N(C)C)CC3)c1)CC2
InChIInChI=1S/C20H28N6O3S/c1-15-21-22-19-8-7-18(14-26(15)19)16-5-4-6-17(13-16)20(27)24-9-11-25(12-10-24)30(28,29)23(2)3/h4-6,13,18H,7-12,14H2,1-3H3/t18-/m0/s1
InChIKeyIETYOUWLHCZUBA-SFHVURJKSA-N
MW432.55 g/mol
LogP0.88
Rot. Bonds4

About N,N-dimethyl-4-[3-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]benzoyl]piperazine-1-sulfonamide

N,N-dimethyl-4-[3-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]benzoyl]piperazine-1-sulfonamide (PubChem CID 92619844) has the molecular formula C20H28N6O3S and a molecular weight of 432.55 g/mol. Its IUPAC name is N,N-dimethyl-4-[3-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]benzoyl]piperazine-1-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[3-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]benzoyl]piperazine-1-sulfonamide
PubChem CID92619844
Molecular FormulaC20H28N6O3S
Molecular Weight432.55 g/mol
Exact Mass432.19
IUPAC NameN,N-dimethyl-4-[3-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]benzoyl]piperazine-1-sulfonamide
SMILESCc1nnc2n1C[C@@H](c1cccc(C(=O)N3CCN(S(=O)(=O)N(C)C)CC3)c1)CC2
InChIInChI=1S/C20H28N6O3S/c1-15-21-22-19-8-7-18(14-26(15)19)16-5-4-6-17(13-16)20(27)24-9-11-25(12-10-24)30(28,29)23(2)3/h4-6,13,18H,7-12,14H2,1-3H3/t18-/m0/s1
InChIKeyIETYOUWLHCZUBA-SFHVURJKSA-N
XLogP0.88
TPSA91.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N,N-dimethyl-4-[3-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]benzoyl]piperazine-1-sulfonamide with MolForge

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Related Compounds

3-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-(2-phenylphenyl)benzamide
CID 92619804
4-(3,5-dihydroxybenzoyl)-N,N-dimethylpiperazine-1-sulfonamide
CID 108570154
N,N-dimethyl-4-(1-methylbenzimidazole-5-carbonyl)piperazine-1-sulfonamide
CID 110805086
N,N-dimethyl-4-(thiophene-3-carbonyl)piperazine-1-sulfonamide
CID 32503634
N,N-dimethyl-4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)-1,4-diazepane-1-sulfonamide
CID 110810347
N-methyl-3-[3-(pyrrolidine-1-carbonyl)phenyl]piperidine-1-carboxamide
CID 50789022
4-(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide
CID 32503491
(3-fluorophenyl)-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 53015177
N,N,3-trimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-sulfonamide
CID 110722480
4-(2-chloropyridine-3-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide
CID 33006202
3-(1-methylsulfonylazetidin-3-yl)benzoic acid
CID 170992355
4-(5-iodothiophene-3-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide
CID 78948394

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[3-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]benzoyl]piperazine-1-sulfonamide?
The IUPAC name of N,N-dimethyl-4-[3-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]benzoyl]piperazine-1-sulfonamide (CID 92619844) is N,N-dimethyl-4-[3-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]benzoyl]piperazine-1-sulfonamide.
What is the SMILES notation for N,N-dimethyl-4-[3-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]benzoyl]piperazine-1-sulfonamide?
The canonical SMILES for N,N-dimethyl-4-[3-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]benzoyl]piperazine-1-sulfonamide is Cc1nnc2n1C[C@@H](c1cccc(C(=O)N3CCN(S(=O)(=O)N(C)C)CC3)c1)CC2.
What is the InChIKey of N,N-dimethyl-4-[3-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]benzoyl]piperazine-1-sulfonamide?
The InChIKey is IETYOUWLHCZUBA-SFHVURJKSA-N. The full InChI is InChI=1S/C20H28N6O3S/c1-15-21-22-19-8-7-18(14-26(15)19)16-5-4-6-17(13-16)20(27)24-9-11-25(12-10-24)30(28,29)23(2)3/h4-6,13,18H,7-12,14H2,1-3H3/t18-/m0/s1.
What are the key properties of N,N-dimethyl-4-[3-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]benzoyl]piperazine-1-sulfonamide?
N,N-dimethyl-4-[3-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]benzoyl]piperazine-1-sulfonamide has a molecular weight of 432.55 g/mol, XLogP of 0.88, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[3-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]benzoyl]piperazine-1-sulfonamide is sourced from PubChem (CID 92619844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).