1-cyclopropyl-2-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-ethylethanamine

C16H23NOS — CID 64653227

IUPAC1-cyclopropyl-2-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-ethylethanamine
SMILESCCNC(CS(=O)c1ccc2c(c1)CCC2)C1CC1
InChIInChI=1S/C16H23NOS/c1-2-17-16(13-6-7-13)11-19(18)15-9-8-12-4-3-5-14(12)10-15/h8-10,13,16-17H,2-7,11H2,1H3
InChIKeyIEPGXBCZHJUXMQ-UHFFFAOYSA-N
MW277.43 g/mol
LogP2.67
Rot. Bonds6

About 1-cyclopropyl-2-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-ethylethanamine

1-cyclopropyl-2-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-ethylethanamine (PubChem CID 64653227) has the molecular formula C16H23NOS and a molecular weight of 277.43 g/mol. Its IUPAC name is 1-cyclopropyl-2-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-ethylethanamine.

Molecular Properties

Compound Name1-cyclopropyl-2-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-ethylethanamine
PubChem CID64653227
Molecular FormulaC16H23NOS
Molecular Weight277.43 g/mol
Exact Mass277.15
IUPAC Name1-cyclopropyl-2-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-ethylethanamine
SMILESCCNC(CS(=O)c1ccc2c(c1)CCC2)C1CC1
InChIInChI=1S/C16H23NOS/c1-2-17-16(13-6-7-13)11-19(18)15-9-8-12-4-3-5-14(12)10-15/h8-10,13,16-17H,2-7,11H2,1H3
InChIKeyIEPGXBCZHJUXMQ-UHFFFAOYSA-N
XLogP2.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromophenyl)sulfinyl-1-cyclohexyl-N-ethylethanamine
CID 104754578
1-cyclopentyl-N-ethyl-2-(4-nitrophenyl)sulfinylethanamine
CID 104754647
2-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-ethylcyclopentan-1-amine
CID 64653023
1-(2,3-dihydro-1H-inden-5-ylsulfinyl)-3,3-dimethylbutan-2-amine
CID 64652817
1-cyclopentyl-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethylethanamine
CID 104755464
2-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-methyl-1-phenylethanamine
CID 64651990
1-cyclopropyl-N-ethyl-2-methylsulfinylethanamine
CID 64654604
N-ethyl-2-(4-methylphenyl)sulfinyl-1-(oxolan-3-yl)ethanamine
CID 104754394
1-cyclopentyl-2-(2,5-difluorophenyl)sulfinyl-N-ethylethanamine
CID 104754680
N-[2-(3-chlorophenyl)sulfinyl-1-cyclopentylethyl]propan-1-amine
CID 104754287
N-[1-cyclohexyl-2-(3-methylphenyl)sulfinylethyl]propan-1-amine
CID 104754748
N-[2-(3-bromophenyl)sulfinyl-1-cyclopentylethyl]propan-1-amine
CID 104754297

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-ethylethanamine?
The IUPAC name of 1-cyclopropyl-2-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-ethylethanamine (CID 64653227) is 1-cyclopropyl-2-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-ethylethanamine.
What is the SMILES notation for 1-cyclopropyl-2-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-ethylethanamine?
The canonical SMILES for 1-cyclopropyl-2-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-ethylethanamine is CCNC(CS(=O)c1ccc2c(c1)CCC2)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-ethylethanamine?
The InChIKey is IEPGXBCZHJUXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NOS/c1-2-17-16(13-6-7-13)11-19(18)15-9-8-12-4-3-5-14(12)10-15/h8-10,13,16-17H,2-7,11H2,1H3.
What are the key properties of 1-cyclopropyl-2-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-ethylethanamine?
1-cyclopropyl-2-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-ethylethanamine has a molecular weight of 277.43 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-ethylethanamine is sourced from PubChem (CID 64653227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).