N-(1,4-dithian-2-ylmethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine

C16H23NOS2 — CID 115727420

IUPACN-(1,4-dithian-2-ylmethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1ccc2c(c1)CCCC2NCC1CSCCS1
InChIInChI=1S/C16H23NOS2/c1-18-13-5-6-15-12(9-13)3-2-4-16(15)17-10-14-11-19-7-8-20-14/h5-6,9,14,16-17H,2-4,7-8,10-11H2,1H3
InChIKeyVBSDJMRCDLNRRV-UHFFFAOYSA-N
MW309.50 g/mol
LogP3.51
Rot. Bonds4

About N-(1,4-dithian-2-ylmethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine

N-(1,4-dithian-2-ylmethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 115727420) has the molecular formula C16H23NOS2 and a molecular weight of 309.50 g/mol. Its IUPAC name is N-(1,4-dithian-2-ylmethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-(1,4-dithian-2-ylmethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID115727420
Molecular FormulaC16H23NOS2
Molecular Weight309.50 g/mol
Exact Mass309.12
IUPAC NameN-(1,4-dithian-2-ylmethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1ccc2c(c1)CCCC2NCC1CSCCS1
InChIInChI=1S/C16H23NOS2/c1-18-13-5-6-15-12(9-13)3-2-4-16(15)17-10-14-11-19-7-8-20-14/h5-6,9,14,16-17H,2-4,7-8,10-11H2,1H3
InChIKeyVBSDJMRCDLNRRV-UHFFFAOYSA-N
XLogP3.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.50
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethanol
CID 3016750
6-methoxy-N-(2-thiomorpholin-4-ylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 103783282
3-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol
CID 43206577
6-methoxy-N-(2-methoxy-2-methylpropyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115728733
N-[(1,1-dioxothiolan-3-yl)methyl]-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 61057213
3-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2,2-dimethylpropan-1-ol
CID 115359037
3-[[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propanenitrile
CID 28728583
N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide
CID 78319340
6-methoxy-N-(1,3-thiazol-5-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115732237
1-cyclopropyl-2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethanol
CID 55172738
6-methoxy-N-(4-methoxy-2,2-dimethylbutyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 104628924
4-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-3,3-dimethylbutan-1-ol
CID 103787626

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dithian-2-ylmethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-(1,4-dithian-2-ylmethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine (CID 115727420) is N-(1,4-dithian-2-ylmethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-(1,4-dithian-2-ylmethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-(1,4-dithian-2-ylmethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine is COc1ccc2c(c1)CCCC2NCC1CSCCS1.
What is the InChIKey of N-(1,4-dithian-2-ylmethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is VBSDJMRCDLNRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NOS2/c1-18-13-5-6-15-12(9-13)3-2-4-16(15)17-10-14-11-19-7-8-20-14/h5-6,9,14,16-17H,2-4,7-8,10-11H2,1H3.
What are the key properties of N-(1,4-dithian-2-ylmethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
N-(1,4-dithian-2-ylmethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 309.50 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dithian-2-ylmethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 115727420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).