(2aS)-N,N-dimethyl-5-oxo-2,2a,3,4-tetrahydrobenzo[cd]indole-1-sulfonamide

C13H16N2O3S — CID 124617739

IUPAC(2aS)-N,N-dimethyl-5-oxo-2,2a,3,4-tetrahydrobenzo[cd]indole-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1C[C@H]2CCC(=O)c3cccc1c32
InChIInChI=1S/C13H16N2O3S/c1-14(2)19(17,18)15-8-9-6-7-12(16)10-4-3-5-11(15)13(9)10/h3-5,9H,6-8H2,1-2H3/t9-/m1/s1
InChIKeyWISASNRIROQTQB-SECBINFHSA-N
MW280.35 g/mol
LogP1.37
Rot. Bonds2

About (2aS)-N,N-dimethyl-5-oxo-2,2a,3,4-tetrahydrobenzo[cd]indole-1-sulfonamide

(2aS)-N,N-dimethyl-5-oxo-2,2a,3,4-tetrahydrobenzo[cd]indole-1-sulfonamide (PubChem CID 124617739) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is (2aS)-N,N-dimethyl-5-oxo-2,2a,3,4-tetrahydrobenzo[cd]indole-1-sulfonamide.

Molecular Properties

Compound Name(2aS)-N,N-dimethyl-5-oxo-2,2a,3,4-tetrahydrobenzo[cd]indole-1-sulfonamide
PubChem CID124617739
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC Name(2aS)-N,N-dimethyl-5-oxo-2,2a,3,4-tetrahydrobenzo[cd]indole-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1C[C@H]2CCC(=O)c3cccc1c32
InChIInChI=1S/C13H16N2O3S/c1-14(2)19(17,18)15-8-9-6-7-12(16)10-4-3-5-11(15)13(9)10/h3-5,9H,6-8H2,1-2H3/t9-/m1/s1
InChIKeyWISASNRIROQTQB-SECBINFHSA-N
XLogP1.37
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2aS)-N,N-dimethyl-5-oxo-2,2a,3,4-tetrahydrobenzo[cd]indole-1-sulfonamide with MolForge

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Related Compounds

(E)-2-methyl-1,4-bis(5-oxo-2,2a,3,4-tetrahydrobenzo[cd]indol-1-yl)but-2-ene-1,4-dione
CID 167879612
1-[(3-hydroxycyclobutyl)methyl]-2,2a,3,4-tetrahydrobenzo[cd]indol-5-one
CID 167982839
1-[1-(1-ethylpiperidin-4-yl)piperidine-4-carbonyl]-2,2a,3,4-tetrahydrobenzo[cd]indol-5-one
CID 167957610
4-(dimethylsulfamoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid
CID 43210831
1-[1-(2,6-dichlorophenyl)-5-methyl-1,2,4-triazole-3-carbonyl]-2,2a,3,4-tetrahydrobenzo[cd]indol-5-one
CID 167871523
1-[2-(2-fluorophenyl)-3-oxopiperazine-1-carbonyl]-2,2a,3,4-tetrahydrobenzo[cd]indol-5-one
CID 167942672
2,2a,3,4-tetrahydro-1H-benzo[cd]indol-5-one;hydrochloride
CID 75481080
N-cyclopropyl-5-oxo-3,4-dihydro-2H-1-benzazepine-1-sulfonamide
CID 114808679
N,N-diethyl-5-oxo-3,4-dihydro-2H-1-benzazepine-1-sulfonamide
CID 114336702
N,N-dimethyl-3-oxo-2,4-dihydroquinoxaline-1-sulfonamide
CID 55126845
5-oxo-3,4-dihydro-2H-1-benzazepine-1-sulfonamide
CID 114959228
tricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trien-2-one
CID 24972989

Frequently Asked Questions

What is the IUPAC name of (2aS)-N,N-dimethyl-5-oxo-2,2a,3,4-tetrahydrobenzo[cd]indole-1-sulfonamide?
The IUPAC name of (2aS)-N,N-dimethyl-5-oxo-2,2a,3,4-tetrahydrobenzo[cd]indole-1-sulfonamide (CID 124617739) is (2aS)-N,N-dimethyl-5-oxo-2,2a,3,4-tetrahydrobenzo[cd]indole-1-sulfonamide.
What is the SMILES notation for (2aS)-N,N-dimethyl-5-oxo-2,2a,3,4-tetrahydrobenzo[cd]indole-1-sulfonamide?
The canonical SMILES for (2aS)-N,N-dimethyl-5-oxo-2,2a,3,4-tetrahydrobenzo[cd]indole-1-sulfonamide is CN(C)S(=O)(=O)N1C[C@H]2CCC(=O)c3cccc1c32.
What is the InChIKey of (2aS)-N,N-dimethyl-5-oxo-2,2a,3,4-tetrahydrobenzo[cd]indole-1-sulfonamide?
The InChIKey is WISASNRIROQTQB-SECBINFHSA-N. The full InChI is InChI=1S/C13H16N2O3S/c1-14(2)19(17,18)15-8-9-6-7-12(16)10-4-3-5-11(15)13(9)10/h3-5,9H,6-8H2,1-2H3/t9-/m1/s1.
What are the key properties of (2aS)-N,N-dimethyl-5-oxo-2,2a,3,4-tetrahydrobenzo[cd]indole-1-sulfonamide?
(2aS)-N,N-dimethyl-5-oxo-2,2a,3,4-tetrahydrobenzo[cd]indole-1-sulfonamide has a molecular weight of 280.35 g/mol, XLogP of 1.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2aS)-N,N-dimethyl-5-oxo-2,2a,3,4-tetrahydrobenzo[cd]indole-1-sulfonamide is sourced from PubChem (CID 124617739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).