1,2,3,4,4a,8a-hexahydroquinoline-8-sulfonamide

C9H14N2O2S — CID 91450875

IUPAC1,2,3,4,4a,8a-hexahydroquinoline-8-sulfonamide
SMILESNS(=O)(=O)C1=CC=CC2CCCNC12
InChIInChI=1S/C9H14N2O2S/c10-14(12,13)8-5-1-3-7-4-2-6-11-9(7)8/h1,3,5,7,9,11H,2,4,6H2,(H2,10,12,13)
InChIKeyZWBLYVXZVLOFBS-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.10
Rot. Bonds1

About 1,2,3,4,4a,8a-hexahydroquinoline-8-sulfonamide

1,2,3,4,4a,8a-hexahydroquinoline-8-sulfonamide (PubChem CID 91450875) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 1,2,3,4,4a,8a-hexahydroquinoline-8-sulfonamide.

Molecular Properties

Compound Name1,2,3,4,4a,8a-hexahydroquinoline-8-sulfonamide
PubChem CID91450875
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name1,2,3,4,4a,8a-hexahydroquinoline-8-sulfonamide
SMILESNS(=O)(=O)C1=CC=CC2CCCNC12
InChIInChI=1S/C9H14N2O2S/c10-14(12,13)8-5-1-3-7-4-2-6-11-9(7)8/h1,3,5,7,9,11H,2,4,6H2,(H2,10,12,13)
InChIKeyZWBLYVXZVLOFBS-UHFFFAOYSA-N
XLogP0.10
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4b,8a,9,9a-tetrahydro-4aH-carbazole-4-sulfonamide
CID 57182120
5-Methylsulfonyl-1,2,3,4,4a,8a-hexahydroquinoline
CID 71131093
4-(6-Sulfonylcyclohexa-1,3-dien-1-yl)piperidine
CID 87793963
4-(6-Sulfonylcyclohexa-2,4-dien-1-yl)piperidine
CID 87793965
4-(5-Sulfonylcyclohexa-1,3-dien-1-yl)piperidine
CID 87795872
(8aR)-1,2,4a,8a-tetrahydroquinoline-8-sulfonamide
CID 132005121
4-Propyl-4-(propylamino)cyclohexa-1,5-diene-1-sulfonamide
CID 152780338
1-(1-Methylcyclohexa-2,4-dien-1-yl)sulfonylpiperidin-4-amine
CID 163216363
4-Butyl-4-(butylamino)cyclohexa-1,5-diene-1-sulfonamide
CID 164165792
(3E,5Z)-2-[(2S)-piperidin-2-yl]hepta-1,3,5-triene-4-sulfonamide
CID 167033104
N-(cyclohex-3-en-1-ylmethyl)-1-ethylsulfonylpiperidin-4-amine
CID 43208072
N-(cyclohex-3-en-1-ylmethyl)-1-methylsulfonylpiperidin-4-amine
CID 43432044

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,8a-hexahydroquinoline-8-sulfonamide?
The IUPAC name of 1,2,3,4,4a,8a-hexahydroquinoline-8-sulfonamide (CID 91450875) is 1,2,3,4,4a,8a-hexahydroquinoline-8-sulfonamide.
What is the SMILES notation for 1,2,3,4,4a,8a-hexahydroquinoline-8-sulfonamide?
The canonical SMILES for 1,2,3,4,4a,8a-hexahydroquinoline-8-sulfonamide is NS(=O)(=O)C1=CC=CC2CCCNC12.
What is the InChIKey of 1,2,3,4,4a,8a-hexahydroquinoline-8-sulfonamide?
The InChIKey is ZWBLYVXZVLOFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c10-14(12,13)8-5-1-3-7-4-2-6-11-9(7)8/h1,3,5,7,9,11H,2,4,6H2,(H2,10,12,13).
What are the key properties of 1,2,3,4,4a,8a-hexahydroquinoline-8-sulfonamide?
1,2,3,4,4a,8a-hexahydroquinoline-8-sulfonamide has a molecular weight of 214.29 g/mol, XLogP of 0.10, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4a,8a-hexahydroquinoline-8-sulfonamide is sourced from PubChem (CID 91450875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).