2-methyl-4-phenylsulfanyl-2-(propan-2-ylamino)pentan-1-ol

C15H25NOS — CID 64818850

IUPAC2-methyl-4-phenylsulfanyl-2-(propan-2-ylamino)pentan-1-ol
SMILESCC(C)NC(C)(CO)CC(C)Sc1ccccc1
InChIInChI=1S/C15H25NOS/c1-12(2)16-15(4,11-17)10-13(3)18-14-8-6-5-7-9-14/h5-9,12-13,16-17H,10-11H2,1-4H3
InChIKeyIZBMZQWAYATLHW-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.31
Rot. Bonds7

About 2-methyl-4-phenylsulfanyl-2-(propan-2-ylamino)pentan-1-ol

2-methyl-4-phenylsulfanyl-2-(propan-2-ylamino)pentan-1-ol (PubChem CID 64818850) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is 2-methyl-4-phenylsulfanyl-2-(propan-2-ylamino)pentan-1-ol.

Molecular Properties

Compound Name2-methyl-4-phenylsulfanyl-2-(propan-2-ylamino)pentan-1-ol
PubChem CID64818850
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC Name2-methyl-4-phenylsulfanyl-2-(propan-2-ylamino)pentan-1-ol
SMILESCC(C)NC(C)(CO)CC(C)Sc1ccccc1
InChIInChI=1S/C15H25NOS/c1-12(2)16-15(4,11-17)10-13(3)18-14-8-6-5-7-9-14/h5-9,12-13,16-17H,10-11H2,1-4H3
InChIKeyIZBMZQWAYATLHW-UHFFFAOYSA-N
XLogP3.31
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-phenylsulfanyl-2-(propan-2-ylamino)pentan-1-ol?
The IUPAC name of 2-methyl-4-phenylsulfanyl-2-(propan-2-ylamino)pentan-1-ol (CID 64818850) is 2-methyl-4-phenylsulfanyl-2-(propan-2-ylamino)pentan-1-ol.
What is the SMILES notation for 2-methyl-4-phenylsulfanyl-2-(propan-2-ylamino)pentan-1-ol?
The canonical SMILES for 2-methyl-4-phenylsulfanyl-2-(propan-2-ylamino)pentan-1-ol is CC(C)NC(C)(CO)CC(C)Sc1ccccc1.
What is the InChIKey of 2-methyl-4-phenylsulfanyl-2-(propan-2-ylamino)pentan-1-ol?
The InChIKey is IZBMZQWAYATLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NOS/c1-12(2)16-15(4,11-17)10-13(3)18-14-8-6-5-7-9-14/h5-9,12-13,16-17H,10-11H2,1-4H3.
What are the key properties of 2-methyl-4-phenylsulfanyl-2-(propan-2-ylamino)pentan-1-ol?
2-methyl-4-phenylsulfanyl-2-(propan-2-ylamino)pentan-1-ol has a molecular weight of 267.44 g/mol, XLogP of 3.31, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-phenylsulfanyl-2-(propan-2-ylamino)pentan-1-ol is sourced from PubChem (CID 64818850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).