3-[[4-methyl-1-(propylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]propan-1-ol

C17H27NOS — CID 115420616

IUPAC3-[[4-methyl-1-(propylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]propan-1-ol
SMILESCCCNC1c2ccccc2C(C)CC1SCCCO
InChIInChI=1S/C17H27NOS/c1-3-9-18-17-15-8-5-4-7-14(15)13(2)12-16(17)20-11-6-10-19/h4-5,7-8,13,16-19H,3,6,9-12H2,1-2H3
InChIKeyLCDCSSMBXDYZQD-UHFFFAOYSA-N
MW293.48 g/mol
LogP3.72
Rot. Bonds7

About 3-[[4-methyl-1-(propylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]propan-1-ol

3-[[4-methyl-1-(propylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]propan-1-ol (PubChem CID 115420616) has the molecular formula C17H27NOS and a molecular weight of 293.48 g/mol. Its IUPAC name is 3-[[4-methyl-1-(propylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]propan-1-ol.

Molecular Properties

Compound Name3-[[4-methyl-1-(propylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]propan-1-ol
PubChem CID115420616
Molecular FormulaC17H27NOS
Molecular Weight293.48 g/mol
Exact Mass293.18
IUPAC Name3-[[4-methyl-1-(propylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]propan-1-ol
SMILESCCCNC1c2ccccc2C(C)CC1SCCCO
InChIInChI=1S/C17H27NOS/c1-3-9-18-17-15-8-5-4-7-14(15)13(2)12-16(17)20-11-6-10-19/h4-5,7-8,13,16-19H,3,6,9-12H2,1-2H3
InChIKeyLCDCSSMBXDYZQD-UHFFFAOYSA-N
XLogP3.72
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[[4-methyl-1-(propylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[1-(propylamino)-2,3-dihydro-1H-inden-2-yl]sulfanyl]propan-1-ol
CID 66128150
2-methyl-3-[[4-methyl-1-(propylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]propan-1-ol
CID 115420608
4-methyl-2-methylsulfanyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115420570
2-[[4-methyl-1-(methylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]ethanol
CID 113306152
2-butan-2-ylsulfanyl-4-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115420476
3-[[5-(ethylamino)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]sulfanyl]propan-1-ol
CID 66128577
N,4-dimethyl-2-(3-methylbutylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 107764182
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
3-(3-methylbutylsulfanyl)-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 107763958
2-(1-methoxypropan-2-yloxy)-4-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115419271
2-methyl-3-[[4-(propylamino)-3,4-dihydro-2H-chromen-3-yl]sulfanyl]propan-1-ol
CID 66102789

Frequently Asked Questions

What is the IUPAC name of 3-[[4-methyl-1-(propylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]propan-1-ol?
The IUPAC name of 3-[[4-methyl-1-(propylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]propan-1-ol (CID 115420616) is 3-[[4-methyl-1-(propylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]propan-1-ol.
What is the SMILES notation for 3-[[4-methyl-1-(propylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]propan-1-ol?
The canonical SMILES for 3-[[4-methyl-1-(propylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]propan-1-ol is CCCNC1c2ccccc2C(C)CC1SCCCO.
What is the InChIKey of 3-[[4-methyl-1-(propylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]propan-1-ol?
The InChIKey is LCDCSSMBXDYZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NOS/c1-3-9-18-17-15-8-5-4-7-14(15)13(2)12-16(17)20-11-6-10-19/h4-5,7-8,13,16-19H,3,6,9-12H2,1-2H3.
What are the key properties of 3-[[4-methyl-1-(propylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]propan-1-ol?
3-[[4-methyl-1-(propylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]propan-1-ol has a molecular weight of 293.48 g/mol, XLogP of 3.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-methyl-1-(propylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]propan-1-ol is sourced from PubChem (CID 115420616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).