(3R)-N-[(2S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]thiolan-3-amine

C15H21NOS — CID 125138715

IUPAC(3R)-N-[(2S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]thiolan-3-amine
SMILESCOc1cccc2c1CC[C@H](N[C@@H]1CCSC1)C2
InChIInChI=1S/C15H21NOS/c1-17-15-4-2-3-11-9-12(5-6-14(11)15)16-13-7-8-18-10-13/h2-4,12-13,16H,5-10H2,1H3/t12-,13+/m0/s1
InChIKeyGXTKDFPWHGLTMX-QWHCGFSZSA-N
MW263.41 g/mol
LogP2.65
Rot. Bonds3

About (3R)-N-[(2S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]thiolan-3-amine

(3R)-N-[(2S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]thiolan-3-amine (PubChem CID 125138715) has the molecular formula C15H21NOS and a molecular weight of 263.41 g/mol. Its IUPAC name is (3R)-N-[(2S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]thiolan-3-amine.

Molecular Properties

Compound Name(3R)-N-[(2S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]thiolan-3-amine
PubChem CID125138715
Molecular FormulaC15H21NOS
Molecular Weight263.41 g/mol
Exact Mass263.13
IUPAC Name(3R)-N-[(2S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]thiolan-3-amine
SMILESCOc1cccc2c1CC[C@H](N[C@@H]1CCSC1)C2
InChIInChI=1S/C15H21NOS/c1-17-15-4-2-3-11-9-12(5-6-14(11)15)16-13-7-8-18-10-13/h2-4,12-13,16H,5-10H2,1H3/t12-,13+/m0/s1
InChIKeyGXTKDFPWHGLTMX-QWHCGFSZSA-N
XLogP2.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;5-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 165394416
(2R)-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10656511
N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanamide
CID 67469984
3-[(1-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)amino]cyclobutane-1-carboxylic acid
CID 166267662
5-methoxy-N-(1-phenylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 73455275
5-methoxy-N-octyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 23635993
(2S,3S)-N-[(2S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-2-(2-methylpyrazol-3-yl)oxolan-3-amine
CID 129483652
5-methoxy-N-(3-phenylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 24880718
N-(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)formamide
CID 18976441
1-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-methylethanamine
CID 105474792
(6S)-1-methoxy-N-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine
CID 125494596
(6R)-1-methoxy-N-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine
CID 125494595

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]thiolan-3-amine?
The IUPAC name of (3R)-N-[(2S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]thiolan-3-amine (CID 125138715) is (3R)-N-[(2S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]thiolan-3-amine.
What is the SMILES notation for (3R)-N-[(2S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]thiolan-3-amine?
The canonical SMILES for (3R)-N-[(2S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]thiolan-3-amine is COc1cccc2c1CC[C@H](N[C@@H]1CCSC1)C2.
What is the InChIKey of (3R)-N-[(2S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]thiolan-3-amine?
The InChIKey is GXTKDFPWHGLTMX-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H21NOS/c1-17-15-4-2-3-11-9-12(5-6-14(11)15)16-13-7-8-18-10-13/h2-4,12-13,16H,5-10H2,1H3/t12-,13+/m0/s1.
What are the key properties of (3R)-N-[(2S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]thiolan-3-amine?
(3R)-N-[(2S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]thiolan-3-amine has a molecular weight of 263.41 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]thiolan-3-amine is sourced from PubChem (CID 125138715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).