N-(2-methylsulfanylcyclopentyl)-1,2,3,4-tetrahydronaphthalen-1-amine

C16H23NS — CID 113262269

IUPACN-(2-methylsulfanylcyclopentyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCSC1CCCC1NC1CCCc2ccccc21
InChIInChI=1S/C16H23NS/c1-18-16-11-5-10-15(16)17-14-9-4-7-12-6-2-3-8-13(12)14/h2-3,6,8,14-17H,4-5,7,9-11H2,1H3
InChIKeyWGKURXREWRSBLW-UHFFFAOYSA-N
MW261.43 g/mol
LogP3.94
Rot. Bonds3

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

N-(2-methylsulfanylcyclopentyl)-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 113262269) has the molecular formula C16H23NS and a molecular weight of 261.43 g/mol. Its IUPAC name is N-(2-methylsulfanylcyclopentyl)-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-(2-methylsulfanylcyclopentyl)-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID113262269
Molecular FormulaC16H23NS
Molecular Weight261.43 g/mol
Exact Mass261.16
IUPAC NameN-(2-methylsulfanylcyclopentyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCSC1CCCC1NC1CCCc2ccccc21
InChIInChI=1S/C16H23NS/c1-18-16-11-5-10-15(16)17-14-9-4-7-12-6-2-3-8-13(12)14/h2-3,6,8,14-17H,4-5,7,9-11H2,1H3
InChIKeyWGKURXREWRSBLW-UHFFFAOYSA-N
XLogP3.94
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 ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methylsulfanylcyclopentyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 103786604
N-(2-methylsulfanylcyclohexyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 103777434
N-(2-tert-butylcyclohexyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43081234
3-N-(2-methylsulfanylcyclopentyl)-2,3-dihydro-1H-indene-1,3-diamine
CID 114121231
N-(2-methylsulfanylcyclohexyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 103777363
N-(2-methoxycyclopentyl)-2,3-dihydro-1H-inden-1-amine
CID 62086936
N-cyclohexyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43080330
N-(2-ethylcyclopentyl)-2,3-dihydro-1H-inden-1-amine
CID 115728090
N-(4-propan-2-ylcycloheptyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65087328
N-methyliodanuidyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 166139472
N-cyclopentyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 43095434
(1S)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine;(1R)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 158216876

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanylcyclopentyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-(2-methylsulfanylcyclopentyl)-1,2,3,4-tetrahydronaphthalen-1-amine (CID 113262269) is N-(2-methylsulfanylcyclopentyl)-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-(2-methylsulfanylcyclopentyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-(2-methylsulfanylcyclopentyl)-1,2,3,4-tetrahydronaphthalen-1-amine is CSC1CCCC1NC1CCCc2ccccc21.
What is the InChIKey of N-(2-methylsulfanylcyclopentyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is WGKURXREWRSBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NS/c1-18-16-11-5-10-15(16)17-14-9-4-7-12-6-2-3-8-13(12)14/h2-3,6,8,14-17H,4-5,7,9-11H2,1H3.
What are the key properties of N-(2-methylsulfanylcyclopentyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
N-(2-methylsulfanylcyclopentyl)-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 261.43 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylcyclopentyl)-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 113262269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).