1,2,3,4-tetrahydroquinolin-6-ylmethanesulfonamide

C10H14N2O2S — CID 131363132

IUPAC1,2,3,4-tetrahydroquinolin-6-ylmethanesulfonamide
SMILESNS(=O)(=O)Cc1ccc2c(c1)CCCN2
InChIInChI=1S/C10H14N2O2S/c11-15(13,14)7-8-3-4-10-9(6-8)2-1-5-12-10/h3-4,6,12H,1-2,5,7H2,(H2,11,13,14)
InChIKeyPIIOBXXRPAMTAA-UHFFFAOYSA-N
MW226.30 g/mol
LogP0.83
Rot. Bonds2

About 1,2,3,4-tetrahydroquinolin-6-ylmethanesulfonamide

1,2,3,4-tetrahydroquinolin-6-ylmethanesulfonamide (PubChem CID 131363132) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 1,2,3,4-tetrahydroquinolin-6-ylmethanesulfonamide.

Molecular Properties

Compound Name1,2,3,4-tetrahydroquinolin-6-ylmethanesulfonamide
PubChem CID131363132
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name1,2,3,4-tetrahydroquinolin-6-ylmethanesulfonamide
SMILESNS(=O)(=O)Cc1ccc2c(c1)CCCN2
InChIInChI=1S/C10H14N2O2S/c11-15(13,14)7-8-3-4-10-9(6-8)2-1-5-12-10/h3-4,6,12H,1-2,5,7H2,(H2,11,13,14)
InChIKeyPIIOBXXRPAMTAA-UHFFFAOYSA-N
XLogP0.83
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,2,3,4-tetrahydroquinolin-6-yl)acetonitrile
CID 116997937
6-(cyclobutylmethyl)-1,2,3,4-tetrahydroquinoline
CID 106779249
6-[2-(4-methylphenyl)ethyl]-1,2,3,4-tetrahydroquinoline
CID 63968254
4-(1,2,3,4-tetrahydroquinolin-6-yl)butanal
CID 164919422
6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline
CID 28776156
6-(3,3-dimethylbutyl)-1,2,3,4-tetrahydroquinoline
CID 106778864
N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)propan-2-amine
CID 61151541
6-propylsulfonyl-1,2,3,4-tetrahydroquinoline
CID 82044394
(4-methylphenyl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide
CID 175307098
ethyl 3-(1,2,3,4-tetrahydroquinolin-6-yl)propanoate
CID 23003903
6-[(4-propylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 28776065
2-[4-(1,2,3,4-tetrahydroquinolin-6-yl)phenyl]acetic acid
CID 39226276

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydroquinolin-6-ylmethanesulfonamide?
The IUPAC name of 1,2,3,4-tetrahydroquinolin-6-ylmethanesulfonamide (CID 131363132) is 1,2,3,4-tetrahydroquinolin-6-ylmethanesulfonamide.
What is the SMILES notation for 1,2,3,4-tetrahydroquinolin-6-ylmethanesulfonamide?
The canonical SMILES for 1,2,3,4-tetrahydroquinolin-6-ylmethanesulfonamide is NS(=O)(=O)Cc1ccc2c(c1)CCCN2.
What is the InChIKey of 1,2,3,4-tetrahydroquinolin-6-ylmethanesulfonamide?
The InChIKey is PIIOBXXRPAMTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c11-15(13,14)7-8-3-4-10-9(6-8)2-1-5-12-10/h3-4,6,12H,1-2,5,7H2,(H2,11,13,14).
What are the key properties of 1,2,3,4-tetrahydroquinolin-6-ylmethanesulfonamide?
1,2,3,4-tetrahydroquinolin-6-ylmethanesulfonamide has a molecular weight of 226.30 g/mol, XLogP of 0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydroquinolin-6-ylmethanesulfonamide is sourced from PubChem (CID 131363132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).