2-[(8-methyl-1,2,3,4-tetrahydroquinolin-5-yl)sulfonylamino]ethyl carbamate

C13H19N3O4S — CID 83205594

IUPAC2-[(8-methyl-1,2,3,4-tetrahydroquinolin-5-yl)sulfonylamino]ethyl carbamate
SMILESCc1ccc(S(=O)(=O)NCCOC(N)=O)c2c1NCCC2
InChIInChI=1S/C13H19N3O4S/c1-9-4-5-11(10-3-2-6-15-12(9)10)21(18,19)16-7-8-20-13(14)17/h4-5,15-16H,2-3,6-8H2,1H3,(H2,14,17)
InChIKeyIIFLOUCZJYQYFU-UHFFFAOYSA-N
MW313.38 g/mol
LogP0.73
Rot. Bonds5

About 2-[(8-methyl-1,2,3,4-tetrahydroquinolin-5-yl)sulfonylamino]ethyl carbamate

2-[(8-methyl-1,2,3,4-tetrahydroquinolin-5-yl)sulfonylamino]ethyl carbamate (PubChem CID 83205594) has the molecular formula C13H19N3O4S and a molecular weight of 313.38 g/mol. Its IUPAC name is 2-[(8-methyl-1,2,3,4-tetrahydroquinolin-5-yl)sulfonylamino]ethyl carbamate.

Molecular Properties

Compound Name2-[(8-methyl-1,2,3,4-tetrahydroquinolin-5-yl)sulfonylamino]ethyl carbamate
PubChem CID83205594
Molecular FormulaC13H19N3O4S
Molecular Weight313.38 g/mol
Exact Mass313.11
IUPAC Name2-[(8-methyl-1,2,3,4-tetrahydroquinolin-5-yl)sulfonylamino]ethyl carbamate
SMILESCc1ccc(S(=O)(=O)NCCOC(N)=O)c2c1NCCC2
InChIInChI=1S/C13H19N3O4S/c1-9-4-5-11(10-3-2-6-15-12(9)10)21(18,19)16-7-8-20-13(14)17/h4-5,15-16H,2-3,6-8H2,1H3,(H2,14,17)
InChIKeyIIFLOUCZJYQYFU-UHFFFAOYSA-N
XLogP0.73
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-hexan-3-yl-8-methyl-1,2,3,4-tetrahydroquinoline-5-sulfonamide
CID 62117847
2-[(5-amino-2-fluoro-4-methylphenyl)sulfonylamino]ethyl carbamate
CID 83202296
8-methyl-N-(2-methyloxolan-3-yl)-1,2,3,4-tetrahydroquinoline-5-sulfonamide
CID 82716150
3-bromo-4-(2-carbamoyloxyethylsulfamoyl)benzoic acid
CID 83201896
2-[[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]sulfonylamino]ethyl carbamate
CID 83206040
N,8-dimethyl-N-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroquinoline-5-sulfonamide
CID 63959816
5-(2-carbamoyloxyethylsulfamoyl)-2-methylbenzoic acid
CID 83202818
N,8-dimethyl-N-(3-methylbutan-2-yl)-1,2,3,4-tetrahydroquinoline-5-sulfonamide
CID 60999425
N-(3-ethoxypropyl)-1,2,3,4-tetrahydroquinoline-5-sulfonamide
CID 104773691
2-[(5-amino-3-fluoro-2-methylphenyl)sulfonylamino]ethyl carbamate
CID 83202378
2-[[4-(methylamino)phenyl]sulfonylamino]ethyl carbamate
CID 83203795
2-[(6-amino-1H-indol-3-yl)sulfonylamino]ethyl carbamate
CID 83202971

Frequently Asked Questions

What is the IUPAC name of 2-[(8-methyl-1,2,3,4-tetrahydroquinolin-5-yl)sulfonylamino]ethyl carbamate?
The IUPAC name of 2-[(8-methyl-1,2,3,4-tetrahydroquinolin-5-yl)sulfonylamino]ethyl carbamate (CID 83205594) is 2-[(8-methyl-1,2,3,4-tetrahydroquinolin-5-yl)sulfonylamino]ethyl carbamate.
What is the SMILES notation for 2-[(8-methyl-1,2,3,4-tetrahydroquinolin-5-yl)sulfonylamino]ethyl carbamate?
The canonical SMILES for 2-[(8-methyl-1,2,3,4-tetrahydroquinolin-5-yl)sulfonylamino]ethyl carbamate is Cc1ccc(S(=O)(=O)NCCOC(N)=O)c2c1NCCC2.
What is the InChIKey of 2-[(8-methyl-1,2,3,4-tetrahydroquinolin-5-yl)sulfonylamino]ethyl carbamate?
The InChIKey is IIFLOUCZJYQYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4S/c1-9-4-5-11(10-3-2-6-15-12(9)10)21(18,19)16-7-8-20-13(14)17/h4-5,15-16H,2-3,6-8H2,1H3,(H2,14,17).
What are the key properties of 2-[(8-methyl-1,2,3,4-tetrahydroquinolin-5-yl)sulfonylamino]ethyl carbamate?
2-[(8-methyl-1,2,3,4-tetrahydroquinolin-5-yl)sulfonylamino]ethyl carbamate has a molecular weight of 313.38 g/mol, XLogP of 0.73, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(8-methyl-1,2,3,4-tetrahydroquinolin-5-yl)sulfonylamino]ethyl carbamate is sourced from PubChem (CID 83205594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).