(3S)-3-methyl-1,2,3,4-tetrahydroquinoline-8-sulfonamide

C10H14N2O2S — CID 39869895

IUPAC(3S)-3-methyl-1,2,3,4-tetrahydroquinoline-8-sulfonamide
SMILESC[C@@H]1CNc2c(cccc2S(N)(=O)=O)C1
InChIInChI=1S/C10H14N2O2S/c1-7-5-8-3-2-4-9(15(11,13)14)10(8)12-6-7/h2-4,7,12H,5-6H2,1H3,(H2,11,13,14)/t7-/m0/s1
InChIKeyUVJPSTJAUUZEKC-ZETCQYMHSA-N
MW226.30 g/mol
LogP0.94
Rot. Bonds1

About (3S)-3-methyl-1,2,3,4-tetrahydroquinoline-8-sulfonamide

(3S)-3-methyl-1,2,3,4-tetrahydroquinoline-8-sulfonamide (PubChem CID 39869895) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is (3S)-3-methyl-1,2,3,4-tetrahydroquinoline-8-sulfonamide.

Molecular Properties

Compound Name(3S)-3-methyl-1,2,3,4-tetrahydroquinoline-8-sulfonamide
PubChem CID39869895
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name(3S)-3-methyl-1,2,3,4-tetrahydroquinoline-8-sulfonamide
SMILESC[C@@H]1CNc2c(cccc2S(N)(=O)=O)C1
InChIInChI=1S/C10H14N2O2S/c1-7-5-8-3-2-4-9(15(11,13)14)10(8)12-6-7/h2-4,7,12H,5-6H2,1H3,(H2,11,13,14)/t7-/m0/s1
InChIKeyUVJPSTJAUUZEKC-ZETCQYMHSA-N
XLogP0.94
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-1,2,3,4-tetrahydroquinoline-8-sulfonamide?
The IUPAC name of (3S)-3-methyl-1,2,3,4-tetrahydroquinoline-8-sulfonamide (CID 39869895) is (3S)-3-methyl-1,2,3,4-tetrahydroquinoline-8-sulfonamide.
What is the SMILES notation for (3S)-3-methyl-1,2,3,4-tetrahydroquinoline-8-sulfonamide?
The canonical SMILES for (3S)-3-methyl-1,2,3,4-tetrahydroquinoline-8-sulfonamide is C[C@@H]1CNc2c(cccc2S(N)(=O)=O)C1.
What is the InChIKey of (3S)-3-methyl-1,2,3,4-tetrahydroquinoline-8-sulfonamide?
The InChIKey is UVJPSTJAUUZEKC-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-7-5-8-3-2-4-9(15(11,13)14)10(8)12-6-7/h2-4,7,12H,5-6H2,1H3,(H2,11,13,14)/t7-/m0/s1.
What are the key properties of (3S)-3-methyl-1,2,3,4-tetrahydroquinoline-8-sulfonamide?
(3S)-3-methyl-1,2,3,4-tetrahydroquinoline-8-sulfonamide has a molecular weight of 226.30 g/mol, XLogP of 0.94, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-1,2,3,4-tetrahydroquinoline-8-sulfonamide is sourced from PubChem (CID 39869895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).