1-amino-6-tert-butylsulfanyl-2-methylhexan-2-ol

C11H25NOS — CID 64812175

IUPAC1-amino-6-tert-butylsulfanyl-2-methylhexan-2-ol
SMILESCC(O)(CN)CCCCSC(C)(C)C
InChIInChI=1S/C11H25NOS/c1-10(2,3)14-8-6-5-7-11(4,13)9-12/h13H,5-9,12H2,1-4H3
InChIKeyORLUULJFRQRKGD-UHFFFAOYSA-N
MW219.39 g/mol
LogP2.40
Rot. Bonds6

About 1-amino-6-tert-butylsulfanyl-2-methylhexan-2-ol

1-amino-6-tert-butylsulfanyl-2-methylhexan-2-ol (PubChem CID 64812175) has the molecular formula C11H25NOS and a molecular weight of 219.39 g/mol. Its IUPAC name is 1-amino-6-tert-butylsulfanyl-2-methylhexan-2-ol.

Molecular Properties

Compound Name1-amino-6-tert-butylsulfanyl-2-methylhexan-2-ol
PubChem CID64812175
Molecular FormulaC11H25NOS
Molecular Weight219.39 g/mol
Exact Mass219.17
IUPAC Name1-amino-6-tert-butylsulfanyl-2-methylhexan-2-ol
SMILESCC(O)(CN)CCCCSC(C)(C)C
InChIInChI=1S/C11H25NOS/c1-10(2,3)14-8-6-5-7-11(4,13)9-12/h13H,5-9,12H2,1-4H3
InChIKeyORLUULJFRQRKGD-UHFFFAOYSA-N
XLogP2.40
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.39
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-amino-6-tert-butylsulfanyl-2-methylhexan-2-ol?
The IUPAC name of 1-amino-6-tert-butylsulfanyl-2-methylhexan-2-ol (CID 64812175) is 1-amino-6-tert-butylsulfanyl-2-methylhexan-2-ol.
What is the SMILES notation for 1-amino-6-tert-butylsulfanyl-2-methylhexan-2-ol?
The canonical SMILES for 1-amino-6-tert-butylsulfanyl-2-methylhexan-2-ol is CC(O)(CN)CCCCSC(C)(C)C.
What is the InChIKey of 1-amino-6-tert-butylsulfanyl-2-methylhexan-2-ol?
The InChIKey is ORLUULJFRQRKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NOS/c1-10(2,3)14-8-6-5-7-11(4,13)9-12/h13H,5-9,12H2,1-4H3.
What are the key properties of 1-amino-6-tert-butylsulfanyl-2-methylhexan-2-ol?
1-amino-6-tert-butylsulfanyl-2-methylhexan-2-ol has a molecular weight of 219.39 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-6-tert-butylsulfanyl-2-methylhexan-2-ol is sourced from PubChem (CID 64812175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).