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

C14H20ClNS — CID 115716168

IUPAC5-chloro-N-(3-methylsulfanylbutyl)-2,3-dihydro-1H-inden-2-amine
SMILESCSC(C)CCNC1Cc2ccc(Cl)cc2C1
InChIInChI=1S/C14H20ClNS/c1-10(17-2)5-6-16-14-8-11-3-4-13(15)7-12(11)9-14/h3-4,7,10,14,16H,5-6,8-9H2,1-2H3
InChIKeyQCQHQXUFDOQKDC-UHFFFAOYSA-N
MW269.84 g/mol
LogP3.54
Rot. Bonds5

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

5-chloro-N-(3-methylsulfanylbutyl)-2,3-dihydro-1H-inden-2-amine (PubChem CID 115716168) has the molecular formula C14H20ClNS and a molecular weight of 269.84 g/mol. Its IUPAC name is 5-chloro-N-(3-methylsulfanylbutyl)-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound Name5-chloro-N-(3-methylsulfanylbutyl)-2,3-dihydro-1H-inden-2-amine
PubChem CID115716168
Molecular FormulaC14H20ClNS
Molecular Weight269.84 g/mol
Exact Mass269.10
IUPAC Name5-chloro-N-(3-methylsulfanylbutyl)-2,3-dihydro-1H-inden-2-amine
SMILESCSC(C)CCNC1Cc2ccc(Cl)cc2C1
InChIInChI=1S/C14H20ClNS/c1-10(17-2)5-6-16-14-8-11-3-4-13(15)7-12(11)9-14/h3-4,7,10,14,16H,5-6,8-9H2,1-2H3
InChIKeyQCQHQXUFDOQKDC-UHFFFAOYSA-N
XLogP3.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.84
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-methylsulfanylbutyl)-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of 5-chloro-N-(3-methylsulfanylbutyl)-2,3-dihydro-1H-inden-2-amine (CID 115716168) is 5-chloro-N-(3-methylsulfanylbutyl)-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for 5-chloro-N-(3-methylsulfanylbutyl)-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for 5-chloro-N-(3-methylsulfanylbutyl)-2,3-dihydro-1H-inden-2-amine is CSC(C)CCNC1Cc2ccc(Cl)cc2C1.
What is the InChIKey of 5-chloro-N-(3-methylsulfanylbutyl)-2,3-dihydro-1H-inden-2-amine?
The InChIKey is QCQHQXUFDOQKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNS/c1-10(17-2)5-6-16-14-8-11-3-4-13(15)7-12(11)9-14/h3-4,7,10,14,16H,5-6,8-9H2,1-2H3.
What are the key properties of 5-chloro-N-(3-methylsulfanylbutyl)-2,3-dihydro-1H-inden-2-amine?
5-chloro-N-(3-methylsulfanylbutyl)-2,3-dihydro-1H-inden-2-amine has a molecular weight of 269.84 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-methylsulfanylbutyl)-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 115716168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).