2-amino-4-butan-2-ylsulfanyl-2-methylpentan-1-ol

C10H23NOS — CID 64819942

IUPAC2-amino-4-butan-2-ylsulfanyl-2-methylpentan-1-ol
SMILESCCC(C)SC(C)CC(C)(N)CO
InChIInChI=1S/C10H23NOS/c1-5-8(2)13-9(3)6-10(4,11)7-12/h8-9,12H,5-7,11H2,1-4H3
InChIKeyOMOUEWFWRUOCDJ-UHFFFAOYSA-N
MW205.37 g/mol
LogP2.01
Rot. Bonds6

About 2-amino-4-butan-2-ylsulfanyl-2-methylpentan-1-ol

2-amino-4-butan-2-ylsulfanyl-2-methylpentan-1-ol (PubChem CID 64819942) has the molecular formula C10H23NOS and a molecular weight of 205.37 g/mol. Its IUPAC name is 2-amino-4-butan-2-ylsulfanyl-2-methylpentan-1-ol.

Molecular Properties

Compound Name2-amino-4-butan-2-ylsulfanyl-2-methylpentan-1-ol
PubChem CID64819942
Molecular FormulaC10H23NOS
Molecular Weight205.37 g/mol
Exact Mass205.15
IUPAC Name2-amino-4-butan-2-ylsulfanyl-2-methylpentan-1-ol
SMILESCCC(C)SC(C)CC(C)(N)CO
InChIInChI=1S/C10H23NOS/c1-5-8(2)13-9(3)6-10(4,11)7-12/h8-9,12H,5-7,11H2,1-4H3
InChIKeyOMOUEWFWRUOCDJ-UHFFFAOYSA-N
XLogP2.01
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.37
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-butan-2-ylsulfanyl-2-methylpentan-1-ol?
The IUPAC name of 2-amino-4-butan-2-ylsulfanyl-2-methylpentan-1-ol (CID 64819942) is 2-amino-4-butan-2-ylsulfanyl-2-methylpentan-1-ol.
What is the SMILES notation for 2-amino-4-butan-2-ylsulfanyl-2-methylpentan-1-ol?
The canonical SMILES for 2-amino-4-butan-2-ylsulfanyl-2-methylpentan-1-ol is CCC(C)SC(C)CC(C)(N)CO.
What is the InChIKey of 2-amino-4-butan-2-ylsulfanyl-2-methylpentan-1-ol?
The InChIKey is OMOUEWFWRUOCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NOS/c1-5-8(2)13-9(3)6-10(4,11)7-12/h8-9,12H,5-7,11H2,1-4H3.
What are the key properties of 2-amino-4-butan-2-ylsulfanyl-2-methylpentan-1-ol?
2-amino-4-butan-2-ylsulfanyl-2-methylpentan-1-ol has a molecular weight of 205.37 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-butan-2-ylsulfanyl-2-methylpentan-1-ol is sourced from PubChem (CID 64819942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).