2-methylpropane;N-[(3R)-3-prop-1-en-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]thiohydroxylamine

C17H27NS — CID 145371787

IUPAC2-methylpropane;N-[(3R)-3-prop-1-en-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]thiohydroxylamine
SMILESC=C(C)[C@@H]1Cc2ccccc2C(NS)C1.CC(C)C
InChIInChI=1S/C13H17NS.C4H10/c1-9(2)11-7-10-5-3-4-6-12(10)13(8-11)14-15;1-4(2)3/h3-6,11,13-15H,1,7-8H2,2H3;4H,1-3H3/t11-,13?;/m1./s1
InChIKeyKXHMEOPITUGCOE-ZRMPQGGQSA-N
MW277.48 g/mol
LogP4.96
Rot. Bonds2

About 2-methylpropane;N-[(3R)-3-prop-1-en-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]thiohydroxylamine

2-methylpropane;N-[(3R)-3-prop-1-en-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]thiohydroxylamine (PubChem CID 145371787) has the molecular formula C17H27NS and a molecular weight of 277.48 g/mol. Its IUPAC name is 2-methylpropane;N-[(3R)-3-prop-1-en-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]thiohydroxylamine.

Molecular Properties

Compound Name2-methylpropane;N-[(3R)-3-prop-1-en-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]thiohydroxylamine
PubChem CID145371787
Molecular FormulaC17H27NS
Molecular Weight277.48 g/mol
Exact Mass277.19
IUPAC Name2-methylpropane;N-[(3R)-3-prop-1-en-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]thiohydroxylamine
SMILESC=C(C)[C@@H]1Cc2ccccc2C(NS)C1.CC(C)C
InChIInChI=1S/C13H17NS.C4H10/c1-9(2)11-7-10-5-3-4-6-12(10)13(8-11)14-15;1-4(2)3/h3-6,11,13-15H,1,7-8H2,2H3;4H,1-3H3/t11-,13?;/m1./s1
InChIKeyKXHMEOPITUGCOE-ZRMPQGGQSA-N
XLogP4.96
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.48
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 2-methylpropane;N-[(3R)-3-prop-1-en-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]thiohydroxylamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methylpropane;N-[(3R)-3-prop-1-en-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]thiohydroxylamine?
The IUPAC name of 2-methylpropane;N-[(3R)-3-prop-1-en-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]thiohydroxylamine (CID 145371787) is 2-methylpropane;N-[(3R)-3-prop-1-en-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]thiohydroxylamine.
What is the SMILES notation for 2-methylpropane;N-[(3R)-3-prop-1-en-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]thiohydroxylamine?
The canonical SMILES for 2-methylpropane;N-[(3R)-3-prop-1-en-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]thiohydroxylamine is C=C(C)[C@@H]1Cc2ccccc2C(NS)C1.CC(C)C.
What is the InChIKey of 2-methylpropane;N-[(3R)-3-prop-1-en-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]thiohydroxylamine?
The InChIKey is KXHMEOPITUGCOE-ZRMPQGGQSA-N. The full InChI is InChI=1S/C13H17NS.C4H10/c1-9(2)11-7-10-5-3-4-6-12(10)13(8-11)14-15;1-4(2)3/h3-6,11,13-15H,1,7-8H2,2H3;4H,1-3H3/t11-,13?;/m1./s1.
What are the key properties of 2-methylpropane;N-[(3R)-3-prop-1-en-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]thiohydroxylamine?
2-methylpropane;N-[(3R)-3-prop-1-en-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]thiohydroxylamine has a molecular weight of 277.48 g/mol, XLogP of 4.96, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropane;N-[(3R)-3-prop-1-en-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]thiohydroxylamine is sourced from PubChem (CID 145371787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).