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

C17H25NOS — CID 64651573

IUPAC2-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-propylcyclopentan-1-amine
SMILESCCCNC1CCCC1S(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C17H25NOS/c1-2-11-18-16-7-4-8-17(16)20(19)15-10-9-13-5-3-6-14(13)12-15/h9-10,12,16-18H,2-8,11H2,1H3
InChIKeyVQIFELKAPAGJBV-UHFFFAOYSA-N
MW291.46 g/mol
LogP3.20
Rot. Bonds5

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

2-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-propylcyclopentan-1-amine (PubChem CID 64651573) has the molecular formula C17H25NOS and a molecular weight of 291.46 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-propylcyclopentan-1-amine
PubChem CID64651573
Molecular FormulaC17H25NOS
Molecular Weight291.46 g/mol
Exact Mass291.17
IUPAC Name2-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-propylcyclopentan-1-amine
SMILESCCCNC1CCCC1S(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C17H25NOS/c1-2-11-18-16-7-4-8-17(16)20(19)15-10-9-13-5-3-6-14(13)12-15/h9-10,12,16-18H,2-8,11H2,1H3
InChIKeyVQIFELKAPAGJBV-UHFFFAOYSA-N
XLogP3.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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
2-(3-methoxyphenyl)sulfinyl-N-propylcyclopentan-1-amine
CID 64659136
3-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-ethylcyclohexan-1-amine
CID 64717359
3-(2,3-dihydro-1H-inden-5-ylsulfinyl)-2-methylcyclopentan-1-amine
CID 64905529
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-propylcyclopentan-1-amine
CID 64648465
2-(4-tert-butylphenyl)sulfinyl-N-ethylcyclopentan-1-amine
CID 64652199
2-(3-chlorophenyl)sulfinyl-N-ethylcyclopentan-1-amine
CID 64659353
2-(2,3-dihydro-1H-inden-5-ylsulfinyl)cycloheptane-1-carbonitrile
CID 64691096
2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-N-propylcyclopentan-1-amine
CID 79576350
2-(2,5-difluorophenyl)sulfinyl-N-propylcyclohexan-1-amine
CID 64652067
2-(2,4-difluorophenyl)sulfinyl-N-propylcycloheptan-1-amine
CID 64651180
3-(3-chloro-4-fluorophenyl)sulfinyl-2-methyl-N-propylcyclopentan-1-amine
CID 115477312

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-propylcyclopentan-1-amine?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-propylcyclopentan-1-amine (CID 64651573) is 2-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-propylcyclopentan-1-amine.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-propylcyclopentan-1-amine?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-propylcyclopentan-1-amine is CCCNC1CCCC1S(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-propylcyclopentan-1-amine?
The InChIKey is VQIFELKAPAGJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NOS/c1-2-11-18-16-7-4-8-17(16)20(19)15-10-9-13-5-3-6-14(13)12-15/h9-10,12,16-18H,2-8,11H2,1H3.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-propylcyclopentan-1-amine?
2-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-propylcyclopentan-1-amine has a molecular weight of 291.46 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-propylcyclopentan-1-amine is sourced from PubChem (CID 64651573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).