1-amino-3-tert-butylsulfanyl-2-methylpropan-2-ol

C8H19NOS — CID 64812380

IUPAC1-amino-3-tert-butylsulfanyl-2-methylpropan-2-ol
SMILESCC(O)(CN)CSC(C)(C)C
InChIInChI=1S/C8H19NOS/c1-7(2,3)11-6-8(4,10)5-9/h10H,5-6,9H2,1-4H3
InChIKeyZSSJAMNKPVWESM-UHFFFAOYSA-N
MW177.31 g/mol
LogP1.23
Rot. Bonds3

About 1-amino-3-tert-butylsulfanyl-2-methylpropan-2-ol

1-amino-3-tert-butylsulfanyl-2-methylpropan-2-ol (PubChem CID 64812380) has the molecular formula C8H19NOS and a molecular weight of 177.31 g/mol. Its IUPAC name is 1-amino-3-tert-butylsulfanyl-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-amino-3-tert-butylsulfanyl-2-methylpropan-2-ol
PubChem CID64812380
Molecular FormulaC8H19NOS
Molecular Weight177.31 g/mol
Exact Mass177.12
IUPAC Name1-amino-3-tert-butylsulfanyl-2-methylpropan-2-ol
SMILESCC(O)(CN)CSC(C)(C)C
InChIInChI=1S/C8H19NOS/c1-7(2,3)11-6-8(4,10)5-9/h10H,5-6,9H2,1-4H3
InChIKeyZSSJAMNKPVWESM-UHFFFAOYSA-N
XLogP1.23
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.31
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-tert-butylsulfanyl-2-methylpropan-2-ol?
The IUPAC name of 1-amino-3-tert-butylsulfanyl-2-methylpropan-2-ol (CID 64812380) is 1-amino-3-tert-butylsulfanyl-2-methylpropan-2-ol.
What is the SMILES notation for 1-amino-3-tert-butylsulfanyl-2-methylpropan-2-ol?
The canonical SMILES for 1-amino-3-tert-butylsulfanyl-2-methylpropan-2-ol is CC(O)(CN)CSC(C)(C)C.
What is the InChIKey of 1-amino-3-tert-butylsulfanyl-2-methylpropan-2-ol?
The InChIKey is ZSSJAMNKPVWESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NOS/c1-7(2,3)11-6-8(4,10)5-9/h10H,5-6,9H2,1-4H3.
What are the key properties of 1-amino-3-tert-butylsulfanyl-2-methylpropan-2-ol?
1-amino-3-tert-butylsulfanyl-2-methylpropan-2-ol has a molecular weight of 177.31 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-tert-butylsulfanyl-2-methylpropan-2-ol is sourced from PubChem (CID 64812380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).