N-(3-methylbut-2-enyl)-2,3-dihydro-1H-indole-5-sulfonamide

C13H18N2O2S — CID 106191065

IUPACN-(3-methylbut-2-enyl)-2,3-dihydro-1H-indole-5-sulfonamide
SMILESCC(C)=CCNS(=O)(=O)c1ccc2c(c1)CCN2
InChIInChI=1S/C13H18N2O2S/c1-10(2)5-8-15-18(16,17)12-3-4-13-11(9-12)6-7-14-13/h3-5,9,14-15H,6-8H2,1-2H3
InChIKeyRFKHGNRZAHUJCZ-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.90
Rot. Bonds4

About N-(3-methylbut-2-enyl)-2,3-dihydro-1H-indole-5-sulfonamide

N-(3-methylbut-2-enyl)-2,3-dihydro-1H-indole-5-sulfonamide (PubChem CID 106191065) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is N-(3-methylbut-2-enyl)-2,3-dihydro-1H-indole-5-sulfonamide.

Molecular Properties

Compound NameN-(3-methylbut-2-enyl)-2,3-dihydro-1H-indole-5-sulfonamide
PubChem CID106191065
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC NameN-(3-methylbut-2-enyl)-2,3-dihydro-1H-indole-5-sulfonamide
SMILESCC(C)=CCNS(=O)(=O)c1ccc2c(c1)CCN2
InChIInChI=1S/C13H18N2O2S/c1-10(2)5-8-15-18(16,17)12-3-4-13-11(9-12)6-7-14-13/h3-5,9,14-15H,6-8H2,1-2H3
InChIKeyRFKHGNRZAHUJCZ-UHFFFAOYSA-N
XLogP1.90
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylbutyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 62693554
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2,3-dihydro-1H-indole-5-sulfonamide
CID 28940813
N-[(3-methylcyclopentyl)methyl]-2,3-dihydro-1H-indole-5-sulfonamide
CID 107414189
5-ethylsulfonyl-2,3-dihydro-1H-indole
CID 134176519
N-(4,4,4-trifluorobutyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 115520729
N-(4-hydroxycyclohexyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 28940832
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dihydro-1H-indole-5-sulfonamide
CID 106402227
3-bromo-4-chloro-N-(3-methylbut-2-enyl)benzenesulfonamide
CID 106546881
N-(2-ethylcyclopropyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 114108612
N-(oxolan-3-ylmethyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 62823134
N-(2-cyclopentyloxyethyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 63829043
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-2,3-dihydro-1H-indole-5-sulfonamide
CID 64531595

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbut-2-enyl)-2,3-dihydro-1H-indole-5-sulfonamide?
The IUPAC name of N-(3-methylbut-2-enyl)-2,3-dihydro-1H-indole-5-sulfonamide (CID 106191065) is N-(3-methylbut-2-enyl)-2,3-dihydro-1H-indole-5-sulfonamide.
What is the SMILES notation for N-(3-methylbut-2-enyl)-2,3-dihydro-1H-indole-5-sulfonamide?
The canonical SMILES for N-(3-methylbut-2-enyl)-2,3-dihydro-1H-indole-5-sulfonamide is CC(C)=CCNS(=O)(=O)c1ccc2c(c1)CCN2.
What is the InChIKey of N-(3-methylbut-2-enyl)-2,3-dihydro-1H-indole-5-sulfonamide?
The InChIKey is RFKHGNRZAHUJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-10(2)5-8-15-18(16,17)12-3-4-13-11(9-12)6-7-14-13/h3-5,9,14-15H,6-8H2,1-2H3.
What are the key properties of N-(3-methylbut-2-enyl)-2,3-dihydro-1H-indole-5-sulfonamide?
N-(3-methylbut-2-enyl)-2,3-dihydro-1H-indole-5-sulfonamide has a molecular weight of 266.37 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbut-2-enyl)-2,3-dihydro-1H-indole-5-sulfonamide is sourced from PubChem (CID 106191065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).