1-amino-4-tert-butylsulfanyl-2-methylbutan-2-ol

C9H21NOS — CID 64812382

IUPAC1-amino-4-tert-butylsulfanyl-2-methylbutan-2-ol
SMILESCC(O)(CN)CCSC(C)(C)C
InChIInChI=1S/C9H21NOS/c1-8(2,3)12-6-5-9(4,11)7-10/h11H,5-7,10H2,1-4H3
InChIKeyUEDWKNMSDFIPBH-UHFFFAOYSA-N
MW191.34 g/mol
LogP1.62
Rot. Bonds4

About 1-amino-4-tert-butylsulfanyl-2-methylbutan-2-ol

1-amino-4-tert-butylsulfanyl-2-methylbutan-2-ol (PubChem CID 64812382) has the molecular formula C9H21NOS and a molecular weight of 191.34 g/mol. Its IUPAC name is 1-amino-4-tert-butylsulfanyl-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-amino-4-tert-butylsulfanyl-2-methylbutan-2-ol
PubChem CID64812382
Molecular FormulaC9H21NOS
Molecular Weight191.34 g/mol
Exact Mass191.13
IUPAC Name1-amino-4-tert-butylsulfanyl-2-methylbutan-2-ol
SMILESCC(O)(CN)CCSC(C)(C)C
InChIInChI=1S/C9H21NOS/c1-8(2,3)12-6-5-9(4,11)7-10/h11H,5-7,10H2,1-4H3
InChIKeyUEDWKNMSDFIPBH-UHFFFAOYSA-N
XLogP1.62
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.34
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-4-tert-butylsulfanyl-2-methylbutan-2-ol?
The IUPAC name of 1-amino-4-tert-butylsulfanyl-2-methylbutan-2-ol (CID 64812382) is 1-amino-4-tert-butylsulfanyl-2-methylbutan-2-ol.
What is the SMILES notation for 1-amino-4-tert-butylsulfanyl-2-methylbutan-2-ol?
The canonical SMILES for 1-amino-4-tert-butylsulfanyl-2-methylbutan-2-ol is CC(O)(CN)CCSC(C)(C)C.
What is the InChIKey of 1-amino-4-tert-butylsulfanyl-2-methylbutan-2-ol?
The InChIKey is UEDWKNMSDFIPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NOS/c1-8(2,3)12-6-5-9(4,11)7-10/h11H,5-7,10H2,1-4H3.
What are the key properties of 1-amino-4-tert-butylsulfanyl-2-methylbutan-2-ol?
1-amino-4-tert-butylsulfanyl-2-methylbutan-2-ol has a molecular weight of 191.34 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-tert-butylsulfanyl-2-methylbutan-2-ol is sourced from PubChem (CID 64812382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).