methanol;1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-[methyl-[[4-[3-[(E)-prop-1-enyl]phenyl]phenyl]methylsulfanyl]amino]propan-2-ol

C35H44N2O2S — CID 143905162

About methanol;1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-[methyl-[[4-[3-[(E)-prop-1-enyl]phenyl]phenyl]methylsulfanyl]amino]propan-2-ol

methanol;1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-[methyl-[[4-[3-[(E)-prop-1-enyl]phenyl]phenyl]methylsulfanyl]amino]propan-2-ol (PubChem CID 143905162) has the molecular formula C35H44N2O2S and a molecular weight of 556.82 g/mol. Its IUPAC name is methanol;1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-[methyl-[[4-[3-[(E)-prop-1-enyl]phenyl]phenyl]methylsulfanyl]amino]propan-2-ol.

Molecular Properties

• Compound Name: methanol;1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-[methyl-[[4-[3-[(E)-prop-1-enyl]phenyl]phenyl]methylsulfanyl]amino]propan-2-ol
• PubChem CID: 143905162
• Molecular Formula: C35H44N2O2S
• Molecular Weight: 556.82 g/mol
• Exact Mass: 556.31
• IUPAC Name: methanol;1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-[methyl-[[4-[3-[(E)-prop-1-enyl]phenyl]phenyl]methylsulfanyl]amino]propan-2-ol
• SMILES: C/C=C/c1cccc(-c2ccc(CSN(C)CC(O)CNC(C)(C)Cc3ccc4ccccc4c3)cc2)c1.CO
• InChI: InChI=1S/C34H40N2OS.CH4O/c1-5-9-26-10-8-13-32(20-26)30-17-14-27(15-18-30)25-38-36(4)24-33(37)23-35-34(2,3)22-28-16-19-29-11-6-7-12-31(29)21-28;1-2/h5-21,33,35,37H,22-25H2,1-4H3;2H,1H3/b9-5+
• InChIKey: GGDUXXLPYIZZFI-SZKNIZGXSA-N
• XLogP: 7.20
• TPSA: 55.73 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	556.82
LogP ≤ 5	7.20
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methanol;1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-[methyl-[[4-[3-[(E)-prop-1-enyl]phenyl]phenyl]methylsulfanyl]amino]propan-2-ol?

The IUPAC name of methanol;1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-[methyl-[[4-[3-[(E)-prop-1-enyl]phenyl]phenyl]methylsulfanyl]amino]propan-2-ol (CID 143905162) is methanol;1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-[methyl-[[4-[3-[(E)-prop-1-enyl]phenyl]phenyl]methylsulfanyl]amino]propan-2-ol.

What is the SMILES notation for methanol;1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-[methyl-[[4-[3-[(E)-prop-1-enyl]phenyl]phenyl]methylsulfanyl]amino]propan-2-ol?

The canonical SMILES for methanol;1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-[methyl-[[4-[3-[(E)-prop-1-enyl]phenyl]phenyl]methylsulfanyl]amino]propan-2-ol is C/C=C/c1cccc(-c2ccc(CSN(C)CC(O)CNC(C)(C)Cc3ccc4ccccc4c3)cc2)c1.CO.

What is the InChIKey of methanol;1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-[methyl-[[4-[3-[(E)-prop-1-enyl]phenyl]phenyl]methylsulfanyl]amino]propan-2-ol?

The InChIKey is GGDUXXLPYIZZFI-SZKNIZGXSA-N. The full InChI is InChI=1S/C34H40N2OS.CH4O/c1-5-9-26-10-8-13-32(20-26)30-17-14-27(15-18-30)25-38-36(4)24-33(37)23-35-34(2,3)22-28-16-19-29-11-6-7-12-31(29)21-28;1-2/h5-21,33,35,37H,22-25H2,1-4H3;2H,1H3/b9-5+;.

What are the key properties of methanol;1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-[methyl-[[4-[3-[(E)-prop-1-enyl]phenyl]phenyl]methylsulfanyl]amino]propan-2-ol?

methanol;1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-[methyl-[[4-[3-[(E)-prop-1-enyl]phenyl]phenyl]methylsulfanyl]amino]propan-2-ol has a molecular weight of 556.82 g/mol, XLogP of 7.20, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for methanol;1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-[methyl-[[4-[3-[(E)-prop-1-enyl]phenyl]phenyl]methylsulfanyl]amino]propan-2-ol is sourced from PubChem (CID 143905162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).