5-chloro-N-(2-prop-2-enylsulfanylethyl)-2,3-dihydro-1H-inden-2-amine

C14H18ClNS — CID 103901370

IUPAC5-chloro-N-(2-prop-2-enylsulfanylethyl)-2,3-dihydro-1H-inden-2-amine
SMILESC=CCSCCNC1Cc2ccc(Cl)cc2C1
InChIInChI=1S/C14H18ClNS/c1-2-6-17-7-5-16-14-9-11-3-4-13(15)8-12(11)10-14/h2-4,8,14,16H,1,5-7,9-10H2
InChIKeyFIAYHLZIBYUGPI-UHFFFAOYSA-N
MW267.82 g/mol
LogP3.32
Rot. Bonds6

About 5-chloro-N-(2-prop-2-enylsulfanylethyl)-2,3-dihydro-1H-inden-2-amine

5-chloro-N-(2-prop-2-enylsulfanylethyl)-2,3-dihydro-1H-inden-2-amine (PubChem CID 103901370) has the molecular formula C14H18ClNS and a molecular weight of 267.82 g/mol. Its IUPAC name is 5-chloro-N-(2-prop-2-enylsulfanylethyl)-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound Name5-chloro-N-(2-prop-2-enylsulfanylethyl)-2,3-dihydro-1H-inden-2-amine
PubChem CID103901370
Molecular FormulaC14H18ClNS
Molecular Weight267.82 g/mol
Exact Mass267.08
IUPAC Name5-chloro-N-(2-prop-2-enylsulfanylethyl)-2,3-dihydro-1H-inden-2-amine
SMILESC=CCSCCNC1Cc2ccc(Cl)cc2C1
InChIInChI=1S/C14H18ClNS/c1-2-6-17-7-5-16-14-9-11-3-4-13(15)8-12(11)10-14/h2-4,8,14,16H,1,5-7,9-10H2
InChIKeyFIAYHLZIBYUGPI-UHFFFAOYSA-N
XLogP3.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.82
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-prop-2-enylsulfanylethyl)-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of 5-chloro-N-(2-prop-2-enylsulfanylethyl)-2,3-dihydro-1H-inden-2-amine (CID 103901370) is 5-chloro-N-(2-prop-2-enylsulfanylethyl)-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for 5-chloro-N-(2-prop-2-enylsulfanylethyl)-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for 5-chloro-N-(2-prop-2-enylsulfanylethyl)-2,3-dihydro-1H-inden-2-amine is C=CCSCCNC1Cc2ccc(Cl)cc2C1.
What is the InChIKey of 5-chloro-N-(2-prop-2-enylsulfanylethyl)-2,3-dihydro-1H-inden-2-amine?
The InChIKey is FIAYHLZIBYUGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNS/c1-2-6-17-7-5-16-14-9-11-3-4-13(15)8-12(11)10-14/h2-4,8,14,16H,1,5-7,9-10H2.
What are the key properties of 5-chloro-N-(2-prop-2-enylsulfanylethyl)-2,3-dihydro-1H-inden-2-amine?
5-chloro-N-(2-prop-2-enylsulfanylethyl)-2,3-dihydro-1H-inden-2-amine has a molecular weight of 267.82 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-prop-2-enylsulfanylethyl)-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 103901370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).