N-(thian-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine

C16H23NS — CID 80600159

IUPACN-(thian-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESc1ccc2c(c1)CCC(NCC1CCCCS1)C2
InChIInChI=1S/C16H23NS/c1-2-6-14-11-15(9-8-13(14)5-1)17-12-16-7-3-4-10-18-16/h1-2,5-6,15-17H,3-4,7-12H2
InChIKeyQGRZFIOOAMMRJJ-UHFFFAOYSA-N
MW261.43 g/mol
LogP3.42
Rot. Bonds3

About N-(thian-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine

N-(thian-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 80600159) has the molecular formula C16H23NS and a molecular weight of 261.43 g/mol. Its IUPAC name is N-(thian-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-(thian-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID80600159
Molecular FormulaC16H23NS
Molecular Weight261.43 g/mol
Exact Mass261.16
IUPAC NameN-(thian-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESc1ccc2c(c1)CCC(NCC1CCCCS1)C2
InChIInChI=1S/C16H23NS/c1-2-6-14-11-15(9-8-13(14)5-1)17-12-16-7-3-4-10-18-16/h1-2,5-6,15-17H,3-4,7-12H2
InChIKeyQGRZFIOOAMMRJJ-UHFFFAOYSA-N
XLogP3.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.43
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(thian-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of N-(thian-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine (CID 80600159) is N-(thian-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for N-(thian-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for N-(thian-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine is c1ccc2c(c1)CCC(NCC1CCCCS1)C2.
What is the InChIKey of N-(thian-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is QGRZFIOOAMMRJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NS/c1-2-6-14-11-15(9-8-13(14)5-1)17-12-16-7-3-4-10-18-16/h1-2,5-6,15-17H,3-4,7-12H2.
What are the key properties of N-(thian-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
N-(thian-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 261.43 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thian-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 80600159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).