2-(benzenesulfonyl)-N-ethyl-2,3-dihydro-1H-inden-1-amine

C17H19NO2S — CID 62917722

IUPAC2-(benzenesulfonyl)-N-ethyl-2,3-dihydro-1H-inden-1-amine
SMILESCCNC1c2ccccc2CC1S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H19NO2S/c1-2-18-17-15-11-7-6-8-13(15)12-16(17)21(19,20)14-9-4-3-5-10-14/h3-11,16-18H,2,12H2,1H3
InChIKeyCTAZRFABQUUFMK-UHFFFAOYSA-N
MW301.41 g/mol
LogP2.74
Rot. Bonds4

About 2-(benzenesulfonyl)-N-ethyl-2,3-dihydro-1H-inden-1-amine

2-(benzenesulfonyl)-N-ethyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 62917722) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-N-ethyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name2-(benzenesulfonyl)-N-ethyl-2,3-dihydro-1H-inden-1-amine
PubChem CID62917722
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC Name2-(benzenesulfonyl)-N-ethyl-2,3-dihydro-1H-inden-1-amine
SMILESCCNC1c2ccccc2CC1S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H19NO2S/c1-2-18-17-15-11-7-6-8-13(15)12-16(17)21(19,20)14-9-4-3-5-10-14/h3-11,16-18H,2,12H2,1H3
InChIKeyCTAZRFABQUUFMK-UHFFFAOYSA-N
XLogP2.74
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenyl)sulfonyl-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 64647447
N-ethyl-2-ethylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64646782
2-propan-2-ylsulfonyl-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 64673627
N-ethyl-2-thiophen-2-ylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64645604
3-(benzenesulfonyl)-N-ethylcyclopentan-1-amine
CID 64722834
3-benzyl-N-ethyl-2-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79736974
1-(ethylsulfamoylamino)-2,3-dihydro-1H-inden-2-ol
CID 113340144
N-ethyl-2-(oxan-4-ylmethyl)-2,3-dihydro-1H-inden-1-amine
CID 62385341
6-(benzenesulfonyl)-N-ethyl-2,2-dimethylcyclohexan-1-amine
CID 79847566
2-(benzenesulfonyl)-N-ethyl-4-propan-2-ylcyclohexan-1-amine
CID 62916348
N-methyl-2-(2-methylpropylsulfonyl)-2,3-dihydro-1H-inden-1-amine
CID 64646020
N-ethyl-2-(4-methylphenyl)sulfanyl-2,3-dihydro-1H-inden-1-amine
CID 64619862

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-N-ethyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 2-(benzenesulfonyl)-N-ethyl-2,3-dihydro-1H-inden-1-amine (CID 62917722) is 2-(benzenesulfonyl)-N-ethyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 2-(benzenesulfonyl)-N-ethyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 2-(benzenesulfonyl)-N-ethyl-2,3-dihydro-1H-inden-1-amine is CCNC1c2ccccc2CC1S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonyl)-N-ethyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is CTAZRFABQUUFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-2-18-17-15-11-7-6-8-13(15)12-16(17)21(19,20)14-9-4-3-5-10-14/h3-11,16-18H,2,12H2,1H3.
What are the key properties of 2-(benzenesulfonyl)-N-ethyl-2,3-dihydro-1H-inden-1-amine?
2-(benzenesulfonyl)-N-ethyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 301.41 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-N-ethyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 62917722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).