5-methylsulfanyl-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine

C16H25NS — CID 19710198

IUPAC5-methylsulfanyl-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine
SMILESCCCN(CCC)C1Cc2ccc(SC)cc2C1
InChIInChI=1S/C16H25NS/c1-4-8-17(9-5-2)15-10-13-6-7-16(18-3)12-14(13)11-15/h6-7,12,15H,4-5,8-11H2,1-3H3
InChIKeyFWGXMACPRKQYKL-UHFFFAOYSA-N
MW263.45 g/mol
LogP4.00
Rot. Bonds6

About 5-methylsulfanyl-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine

5-methylsulfanyl-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine (PubChem CID 19710198) has the molecular formula C16H25NS and a molecular weight of 263.45 g/mol. Its IUPAC name is 5-methylsulfanyl-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound Name5-methylsulfanyl-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine
PubChem CID19710198
Molecular FormulaC16H25NS
Molecular Weight263.45 g/mol
Exact Mass263.17
IUPAC Name5-methylsulfanyl-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine
SMILESCCCN(CCC)C1Cc2ccc(SC)cc2C1
InChIInChI=1S/C16H25NS/c1-4-8-17(9-5-2)15-10-13-6-7-16(18-3)12-14(13)11-15/h6-7,12,15H,4-5,8-11H2,1-3H3
InChIKeyFWGXMACPRKQYKL-UHFFFAOYSA-N
XLogP4.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.45
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methylsulfanyl-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of 5-methylsulfanyl-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine (CID 19710198) is 5-methylsulfanyl-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for 5-methylsulfanyl-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for 5-methylsulfanyl-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine is CCCN(CCC)C1Cc2ccc(SC)cc2C1.
What is the InChIKey of 5-methylsulfanyl-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine?
The InChIKey is FWGXMACPRKQYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NS/c1-4-8-17(9-5-2)15-10-13-6-7-16(18-3)12-14(13)11-15/h6-7,12,15H,4-5,8-11H2,1-3H3.
What are the key properties of 5-methylsulfanyl-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine?
5-methylsulfanyl-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine has a molecular weight of 263.45 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfanyl-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 19710198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).