N-(2,3-dihydro-1H-inden-5-yl)-1-(ethylamino)propane-2-sulfonamide

C14H22N2O2S — CID 106059583

IUPACN-(2,3-dihydro-1H-inden-5-yl)-1-(ethylamino)propane-2-sulfonamide
SMILESCCNCC(C)S(=O)(=O)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C14H22N2O2S/c1-3-15-10-11(2)19(17,18)16-14-8-7-12-5-4-6-13(12)9-14/h7-9,11,15-16H,3-6,10H2,1-2H3
InChIKeyQBHNEHUFCINIHB-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.91
Rot. Bonds6

About N-(2,3-dihydro-1H-inden-5-yl)-1-(ethylamino)propane-2-sulfonamide

N-(2,3-dihydro-1H-inden-5-yl)-1-(ethylamino)propane-2-sulfonamide (PubChem CID 106059583) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-1-(ethylamino)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-1-(ethylamino)propane-2-sulfonamide
PubChem CID106059583
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-1-(ethylamino)propane-2-sulfonamide
SMILESCCNCC(C)S(=O)(=O)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C14H22N2O2S/c1-3-15-10-11(2)19(17,18)16-14-8-7-12-5-4-6-13(12)9-14/h7-9,11,15-16H,3-6,10H2,1-2H3
InChIKeyQBHNEHUFCINIHB-UHFFFAOYSA-N
XLogP1.91
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-difluorophenyl)-1-(ethylamino)propane-2-sulfonamide
CID 114141175
N'-(2,3-dihydro-1H-inden-5-yl)-N-ethylethane-1,2-diamine
CID 115205551
2-amino-N-(2,3-dihydro-1H-inden-5-yl)propanamide
CID 24704164
(2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-methylsulfonylpropanamide
CID 94784927
N-ethyl-3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine
CID 62486153
N-(2,3-dihydro-1H-inden-5-yl)-1-phenylmethanesulfonamide
CID 6457501
3-chloro-N-(2,3-dihydro-1H-inden-5-yl)propane-1-sulfonamide
CID 43654045
N'-(2,3-dihydro-1H-inden-5-yl)-N-methylmethanediamine
CID 115226489
N-(2-aminopropyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 55230484
3-(2,3-dihydro-1H-inden-5-ylamino)-2-methylpropanamide
CID 43312074
N-(2,3-dihydro-1H-inden-5-yl)-3-propanoylbenzenesulfonamide
CID 112838618
N-(4-bromo-3-methoxyphenyl)-1-(propylamino)propane-2-sulfonamide
CID 106076653

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-1-(ethylamino)propane-2-sulfonamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-1-(ethylamino)propane-2-sulfonamide (CID 106059583) is N-(2,3-dihydro-1H-inden-5-yl)-1-(ethylamino)propane-2-sulfonamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-1-(ethylamino)propane-2-sulfonamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-1-(ethylamino)propane-2-sulfonamide is CCNCC(C)S(=O)(=O)Nc1ccc2c(c1)CCC2.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-1-(ethylamino)propane-2-sulfonamide?
The InChIKey is QBHNEHUFCINIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-3-15-10-11(2)19(17,18)16-14-8-7-12-5-4-6-13(12)9-14/h7-9,11,15-16H,3-6,10H2,1-2H3.
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-1-(ethylamino)propane-2-sulfonamide?
N-(2,3-dihydro-1H-inden-5-yl)-1-(ethylamino)propane-2-sulfonamide has a molecular weight of 282.41 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-1-(ethylamino)propane-2-sulfonamide is sourced from PubChem (CID 106059583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).