2-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-N-ethylethanesulfonamide

C15H24N2O2S — CID 106334648

IUPAC2-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-N-ethylethanesulfonamide
SMILESCCNS(=O)(=O)CCNC1c2ccccc2CC1(C)C
InChIInChI=1S/C15H24N2O2S/c1-4-17-20(18,19)10-9-16-14-13-8-6-5-7-12(13)11-15(14,2)3/h5-8,14,16-17H,4,9-11H2,1-3H3
InChIKeyJMCBJCLHZUUSAX-UHFFFAOYSA-N
MW296.44 g/mol
LogP1.84
Rot. Bonds6

About 2-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-N-ethylethanesulfonamide

2-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-N-ethylethanesulfonamide (PubChem CID 106334648) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 2-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-N-ethylethanesulfonamide.

Molecular Properties

Compound Name2-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-N-ethylethanesulfonamide
PubChem CID106334648
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name2-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-N-ethylethanesulfonamide
SMILESCCNS(=O)(=O)CCNC1c2ccccc2CC1(C)C
InChIInChI=1S/C15H24N2O2S/c1-4-17-20(18,19)10-9-16-14-13-8-6-5-7-12(13)11-15(14,2)3/h5-8,14,16-17H,4,9-11H2,1-3H3
InChIKeyJMCBJCLHZUUSAX-UHFFFAOYSA-N
XLogP1.84
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-N-ethylethanesulfonamide
CID 106334729
2-(2,3-dihydro-1H-inden-2-ylamino)-N-ethylethanesulfonamide
CID 103901891
2,2-dimethyl-N-(2-phenylethyl)-1,3-dihydroinden-1-amine
CID 82820863
2,2-dimethyl-N-(3,3,3-trifluoropropyl)-1,3-dihydroinden-1-amine
CID 82814406
3-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-N-methylpropanamide
CID 82821829
N-(2-cyclohexylethyl)-2,2-dimethyl-1,3-dihydroinden-1-amine
CID 82821544
N-(2,2-dimethyl-1,3-dihydroinden-1-yl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106040884
2-[[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]methyl]phenol
CID 114331575
N-[3-(2-methoxyethoxy)propyl]-2,2-dimethyl-1,3-dihydroinden-1-amine
CID 82821247
N-[3-(cyclopropylmethoxy)propyl]-2,2-dimethyl-1,3-dihydroinden-1-amine
CID 82821151
N-ethoxy-2,2-dimethyl-1,3-dihydroinden-1-amine
CID 82814561
N-(2-methoxy-2-methylpropyl)-2,2-dimethyl-1,3-dihydroinden-1-amine
CID 113450019

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-N-ethylethanesulfonamide?
The IUPAC name of 2-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-N-ethylethanesulfonamide (CID 106334648) is 2-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-N-ethylethanesulfonamide.
What is the SMILES notation for 2-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-N-ethylethanesulfonamide?
The canonical SMILES for 2-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-N-ethylethanesulfonamide is CCNS(=O)(=O)CCNC1c2ccccc2CC1(C)C.
What is the InChIKey of 2-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-N-ethylethanesulfonamide?
The InChIKey is JMCBJCLHZUUSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-4-17-20(18,19)10-9-16-14-13-8-6-5-7-12(13)11-15(14,2)3/h5-8,14,16-17H,4,9-11H2,1-3H3.
What are the key properties of 2-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-N-ethylethanesulfonamide?
2-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-N-ethylethanesulfonamide has a molecular weight of 296.44 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-N-ethylethanesulfonamide is sourced from PubChem (CID 106334648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).