3-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-ethylcyclohexan-1-amine

C17H25NOS — CID 64717359

IUPAC3-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-ethylcyclohexan-1-amine
SMILESCCNC1CCCC(S(=O)c2ccc3c(c2)CCC3)C1
InChIInChI=1S/C17H25NOS/c1-2-18-15-7-4-8-16(12-15)20(19)17-10-9-13-5-3-6-14(13)11-17/h9-11,15-16,18H,2-8,12H2,1H3
InChIKeyVJLQHZWUWQLEDD-UHFFFAOYSA-N
MW291.46 g/mol
LogP3.20
Rot. Bonds4

About 3-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-ethylcyclohexan-1-amine

3-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-ethylcyclohexan-1-amine (PubChem CID 64717359) has the molecular formula C17H25NOS and a molecular weight of 291.46 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-ethylcyclohexan-1-amine.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-ethylcyclohexan-1-amine
PubChem CID64717359
Molecular FormulaC17H25NOS
Molecular Weight291.46 g/mol
Exact Mass291.17
IUPAC Name3-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-ethylcyclohexan-1-amine
SMILESCCNC1CCCC(S(=O)c2ccc3c(c2)CCC3)C1
InChIInChI=1S/C17H25NOS/c1-2-18-15-7-4-8-16(12-15)20(19)17-10-9-13-5-3-6-14(13)11-17/h9-11,15-16,18H,2-8,12H2,1H3
InChIKeyVJLQHZWUWQLEDD-UHFFFAOYSA-N
XLogP3.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-ethylcyclopentan-1-amine
CID 64653023
3-(4-chlorophenyl)sulfinyl-N-ethylcyclohexan-1-amine
CID 64716942
2-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-propylcyclopentan-1-amine
CID 64651573
3-(2,5-dichlorophenyl)sulfinyl-N-ethylcyclohexan-1-amine
CID 64716958
N-ethyl-3-naphthalen-2-ylsulfinylcyclopentan-1-amine
CID 64722658
3-(2,3-dihydro-1H-inden-5-ylsulfinyl)cyclopentan-1-amine
CID 64723256
3-(2,4-difluorophenyl)sulfinyl-N-ethylcyclohexan-1-amine
CID 64717560
3-(2,3-dihydro-1H-inden-5-ylsulfinyl)-2-methylcyclopentan-1-amine
CID 64905529
1-cyclopropyl-2-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-ethylethanamine
CID 64653227
3-tert-butylsulfinyl-N-ethylcyclopentan-1-amine
CID 64722654
3-(2,5-dimethylphenyl)sulfinyl-N-propylcyclohexan-1-amine
CID 64716954
3-(2,3-dihydro-1H-inden-5-yloxy)-N-propylcyclohexan-1-amine
CID 79619329

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-ethylcyclohexan-1-amine?
The IUPAC name of 3-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-ethylcyclohexan-1-amine (CID 64717359) is 3-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-ethylcyclohexan-1-amine.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-ethylcyclohexan-1-amine?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-ethylcyclohexan-1-amine is CCNC1CCCC(S(=O)c2ccc3c(c2)CCC3)C1.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-ethylcyclohexan-1-amine?
The InChIKey is VJLQHZWUWQLEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NOS/c1-2-18-15-7-4-8-16(12-15)20(19)17-10-9-13-5-3-6-14(13)11-17/h9-11,15-16,18H,2-8,12H2,1H3.
What are the key properties of 3-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-ethylcyclohexan-1-amine?
3-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-ethylcyclohexan-1-amine has a molecular weight of 291.46 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-ethylcyclohexan-1-amine is sourced from PubChem (CID 64717359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).