2-[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-N,N-dimethylethanesulfonamide

C15H23ClN2O2S — CID 106334938

IUPAC2-[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-N,N-dimethylethanesulfonamide
SMILESCN(C)S(=O)(=O)CCNC1c2cc(Cl)ccc2CC1(C)C
InChIInChI=1S/C15H23ClN2O2S/c1-15(2)10-11-5-6-12(16)9-13(11)14(15)17-7-8-21(19,20)18(3)4/h5-6,9,14,17H,7-8,10H2,1-4H3
InChIKeyPIKFFIVTCACDRX-UHFFFAOYSA-N
MW330.88 g/mol
LogP2.44
Rot. Bonds5

About 2-[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-N,N-dimethylethanesulfonamide

2-[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-N,N-dimethylethanesulfonamide (PubChem CID 106334938) has the molecular formula C15H23ClN2O2S and a molecular weight of 330.88 g/mol. Its IUPAC name is 2-[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-N,N-dimethylethanesulfonamide.

Molecular Properties

Compound Name2-[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-N,N-dimethylethanesulfonamide
PubChem CID106334938
Molecular FormulaC15H23ClN2O2S
Molecular Weight330.88 g/mol
Exact Mass330.12
IUPAC Name2-[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-N,N-dimethylethanesulfonamide
SMILESCN(C)S(=O)(=O)CCNC1c2cc(Cl)ccc2CC1(C)C
InChIInChI=1S/C15H23ClN2O2S/c1-15(2)10-11-5-6-12(16)9-13(11)14(15)17-7-8-21(19,20)18(3)4/h5-6,9,14,17H,7-8,10H2,1-4H3
InChIKeyPIKFFIVTCACDRX-UHFFFAOYSA-N
XLogP2.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.88
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-N,N-dimethylethanesulfonamide with MolForge

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Related Compounds

N-[3-[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]propyl]methanesulfonamide
CID 106332802
3-[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]propan-1-ol
CID 83067295
6-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-2,2-dimethyl-1,3-dihydroinden-1-amine
CID 106041280
6-chloro-N-(2-chloroprop-2-enyl)-2,2-dimethyl-1,3-dihydroinden-1-amine
CID 113464540
2-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]-N,N-dimethylethanesulfonamide
CID 106335886
6-chloro-N-[3-(cyclopropylmethoxy)propyl]-2,2-dimethyl-1,3-dihydroinden-1-amine
CID 83067284
N-[2-(5-bromothiophen-2-yl)ethyl]-6-chloro-2,2-dimethyl-1,3-dihydroinden-1-amine
CID 106042532
6-chloro-2,2-dimethyl-N-[3-(2-methylpropoxy)propyl]-1,3-dihydroinden-1-amine
CID 83067283
N-[(4-bromophenyl)methyl]-6-chloro-2,2-dimethyl-1,3-dihydroinden-1-amine
CID 83065761
6-chloro-N-[(4-fluorophenyl)methyl]-2,2-dimethyl-1,3-dihydroinden-1-amine
CID 83067455
6-chloro-2,2-dimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-dihydroinden-1-amine
CID 83066967
4-[[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]methyl]cyclohexan-1-ol
CID 106125007

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-N,N-dimethylethanesulfonamide?
The IUPAC name of 2-[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-N,N-dimethylethanesulfonamide (CID 106334938) is 2-[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-N,N-dimethylethanesulfonamide.
What is the SMILES notation for 2-[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-N,N-dimethylethanesulfonamide?
The canonical SMILES for 2-[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-N,N-dimethylethanesulfonamide is CN(C)S(=O)(=O)CCNC1c2cc(Cl)ccc2CC1(C)C.
What is the InChIKey of 2-[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-N,N-dimethylethanesulfonamide?
The InChIKey is PIKFFIVTCACDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2S/c1-15(2)10-11-5-6-12(16)9-13(11)14(15)17-7-8-21(19,20)18(3)4/h5-6,9,14,17H,7-8,10H2,1-4H3.
What are the key properties of 2-[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-N,N-dimethylethanesulfonamide?
2-[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-N,N-dimethylethanesulfonamide has a molecular weight of 330.88 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-N,N-dimethylethanesulfonamide is sourced from PubChem (CID 106334938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).