N,8-dimethyl-N-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroquinoline-5-sulfonamide

C16H26N2O2S — CID 63959816

IUPACN,8-dimethyl-N-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroquinoline-5-sulfonamide
SMILESCCC(C)(C)N(C)S(=O)(=O)c1ccc(C)c2c1CCCN2
InChIInChI=1S/C16H26N2O2S/c1-6-16(3,4)18(5)21(19,20)14-10-9-12(2)15-13(14)8-7-11-17-15/h9-10,17H,6-8,11H2,1-5H3
InChIKeyXXPUKHVWVIZRMG-UHFFFAOYSA-N
MW310.46 g/mol
LogP3.16
Rot. Bonds4

About N,8-dimethyl-N-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroquinoline-5-sulfonamide

N,8-dimethyl-N-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroquinoline-5-sulfonamide (PubChem CID 63959816) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is N,8-dimethyl-N-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroquinoline-5-sulfonamide.

Molecular Properties

Compound NameN,8-dimethyl-N-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroquinoline-5-sulfonamide
PubChem CID63959816
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC NameN,8-dimethyl-N-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroquinoline-5-sulfonamide
SMILESCCC(C)(C)N(C)S(=O)(=O)c1ccc(C)c2c1CCCN2
InChIInChI=1S/C16H26N2O2S/c1-6-16(3,4)18(5)21(19,20)14-10-9-12(2)15-13(14)8-7-11-17-15/h9-10,17H,6-8,11H2,1-5H3
InChIKeyXXPUKHVWVIZRMG-UHFFFAOYSA-N
XLogP3.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,8-dimethyl-N-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroquinoline-5-sulfonamide?
The IUPAC name of N,8-dimethyl-N-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroquinoline-5-sulfonamide (CID 63959816) is N,8-dimethyl-N-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroquinoline-5-sulfonamide.
What is the SMILES notation for N,8-dimethyl-N-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroquinoline-5-sulfonamide?
The canonical SMILES for N,8-dimethyl-N-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroquinoline-5-sulfonamide is CCC(C)(C)N(C)S(=O)(=O)c1ccc(C)c2c1CCCN2.
What is the InChIKey of N,8-dimethyl-N-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroquinoline-5-sulfonamide?
The InChIKey is XXPUKHVWVIZRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-6-16(3,4)18(5)21(19,20)14-10-9-12(2)15-13(14)8-7-11-17-15/h9-10,17H,6-8,11H2,1-5H3.
What are the key properties of N,8-dimethyl-N-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroquinoline-5-sulfonamide?
N,8-dimethyl-N-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroquinoline-5-sulfonamide has a molecular weight of 310.46 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,8-dimethyl-N-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroquinoline-5-sulfonamide is sourced from PubChem (CID 63959816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).