4-methyl-2-methylsulfanyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine

C15H23NS — CID 115420570

IUPAC4-methyl-2-methylsulfanyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCCNC1c2ccccc2C(C)CC1SC
InChIInChI=1S/C15H23NS/c1-4-9-16-15-13-8-6-5-7-12(13)11(2)10-14(15)17-3/h5-8,11,14-16H,4,9-10H2,1-3H3
InChIKeyZSHZVUHMSBXKQF-UHFFFAOYSA-N
MW249.42 g/mol
LogP3.97
Rot. Bonds4

About 4-methyl-2-methylsulfanyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine

4-methyl-2-methylsulfanyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 115420570) has the molecular formula C15H23NS and a molecular weight of 249.42 g/mol. Its IUPAC name is 4-methyl-2-methylsulfanyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name4-methyl-2-methylsulfanyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID115420570
Molecular FormulaC15H23NS
Molecular Weight249.42 g/mol
Exact Mass249.16
IUPAC Name4-methyl-2-methylsulfanyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCCNC1c2ccccc2C(C)CC1SC
InChIInChI=1S/C15H23NS/c1-4-9-16-15-13-8-6-5-7-12(13)11(2)10-14(15)17-3/h5-8,11,14-16H,4,9-10H2,1-3H3
InChIKeyZSHZVUHMSBXKQF-UHFFFAOYSA-N
XLogP3.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-butan-2-ylsulfanyl-4-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115420476
3-[[4-methyl-1-(propylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]propan-1-ol
CID 115420616
2-methyl-3-[[4-methyl-1-(propylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]propan-1-ol
CID 115420608
N-ethyl-4-methyl-2-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115420483
4-methyl-2-(2-methylpyrrolidin-1-yl)-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115418920
2-(1-methoxypropan-2-yloxy)-4-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115419271
2-methyl-N,3-dipropyl-2,3-dihydro-1H-inden-1-amine
CID 79726205
N-ethyl-4-methyl-2-pyrimidin-4-ylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115420563
2-[[4-methyl-1-(methylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]ethanol
CID 113306152
N-ethyl-4-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 104604729
(3S)-1,3-dimethyl-2,3-dihydro-1H-indene
CID 143951833
N-propyl-2,3,4,4a,9,9a-hexahydro-1H-fluoren-9-amine
CID 54476051

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-methylsulfanyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 4-methyl-2-methylsulfanyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 115420570) is 4-methyl-2-methylsulfanyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 4-methyl-2-methylsulfanyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 4-methyl-2-methylsulfanyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine is CCCNC1c2ccccc2C(C)CC1SC.
What is the InChIKey of 4-methyl-2-methylsulfanyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is ZSHZVUHMSBXKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NS/c1-4-9-16-15-13-8-6-5-7-12(13)11(2)10-14(15)17-3/h5-8,11,14-16H,4,9-10H2,1-3H3.
What are the key properties of 4-methyl-2-methylsulfanyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine?
4-methyl-2-methylsulfanyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 249.42 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-methylsulfanyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 115420570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).