6-methoxy-N-methyl-2-(1-methyltetrazol-5-yl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine

C14H19N5OS — CID 64621382

IUPAC6-methoxy-N-methyl-2-(1-methyltetrazol-5-yl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCNC1c2ccc(OC)cc2CCC1Sc1nnnn1C
InChIInChI=1S/C14H19N5OS/c1-15-13-11-6-5-10(20-3)8-9(11)4-7-12(13)21-14-16-17-18-19(14)2/h5-6,8,12-13,15H,4,7H2,1-3H3
InChIKeyUWSGVCLIAAVTFU-UHFFFAOYSA-N
MW305.41 g/mol
LogP1.59
Rot. Bonds4

About 6-methoxy-N-methyl-2-(1-methyltetrazol-5-yl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine

6-methoxy-N-methyl-2-(1-methyltetrazol-5-yl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 64621382) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is 6-methoxy-N-methyl-2-(1-methyltetrazol-5-yl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name6-methoxy-N-methyl-2-(1-methyltetrazol-5-yl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID64621382
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC Name6-methoxy-N-methyl-2-(1-methyltetrazol-5-yl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCNC1c2ccc(OC)cc2CCC1Sc1nnnn1C
InChIInChI=1S/C14H19N5OS/c1-15-13-11-6-5-10(20-3)8-9(11)4-7-12(13)21-14-16-17-18-19(14)2/h5-6,8,12-13,15H,4,7H2,1-3H3
InChIKeyUWSGVCLIAAVTFU-UHFFFAOYSA-N
XLogP1.59
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-methoxy-N-methyl-2-(1-methyltetrazol-5-yl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine with MolForge

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Related Compounds

6-methoxy-2-(1-methyltetrazol-5-yl)sulfanyl-2,3-dihydro-1H-inden-1-amine
CID 79367539
3-[[6-methoxy-1-(methylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]propan-1-ol
CID 66127727
methyl 3-[[6-methoxy-1-(methylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]propanoate
CID 64615409
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64628444
N-ethyl-6-methoxy-2-(1,3-oxazol-2-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 106927231
7-methoxy-N-methyl-2-pyrimidin-4-ylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79236526
7-methoxy-N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79237018
6-methoxy-2-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64619980
N-ethyl-6-methoxy-2-propylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64614896
N-methyl-2-(1-methyltetrazol-5-yl)sulfanylcyclooctan-1-amine
CID 64620986
7-methoxy-N-methyl-2-(oxan-4-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79236733
3-[[7-methoxy-1-(methylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]butan-2-ol
CID 107772532

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-methyl-2-(1-methyltetrazol-5-yl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 6-methoxy-N-methyl-2-(1-methyltetrazol-5-yl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 64621382) is 6-methoxy-N-methyl-2-(1-methyltetrazol-5-yl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 6-methoxy-N-methyl-2-(1-methyltetrazol-5-yl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 6-methoxy-N-methyl-2-(1-methyltetrazol-5-yl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine is CNC1c2ccc(OC)cc2CCC1Sc1nnnn1C.
What is the InChIKey of 6-methoxy-N-methyl-2-(1-methyltetrazol-5-yl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is UWSGVCLIAAVTFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS/c1-15-13-11-6-5-10(20-3)8-9(11)4-7-12(13)21-14-16-17-18-19(14)2/h5-6,8,12-13,15H,4,7H2,1-3H3.
What are the key properties of 6-methoxy-N-methyl-2-(1-methyltetrazol-5-yl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine?
6-methoxy-N-methyl-2-(1-methyltetrazol-5-yl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 305.41 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-methyl-2-(1-methyltetrazol-5-yl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 64621382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).