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

C10H23NOS — CID 114369959

IUPAC3-amino-2-butan-2-ylsulfanyl-4-methylpentan-1-ol
SMILESCCC(C)SC(CO)C(N)C(C)C
InChIInChI=1S/C10H23NOS/c1-5-8(4)13-9(6-12)10(11)7(2)3/h7-10,12H,5-6,11H2,1-4H3
InChIKeyRZVLCWHSKZKZIQ-UHFFFAOYSA-N
MW205.37 g/mol
LogP1.86
Rot. Bonds6

About 3-amino-2-butan-2-ylsulfanyl-4-methylpentan-1-ol

3-amino-2-butan-2-ylsulfanyl-4-methylpentan-1-ol (PubChem CID 114369959) has the molecular formula C10H23NOS and a molecular weight of 205.37 g/mol. Its IUPAC name is 3-amino-2-butan-2-ylsulfanyl-4-methylpentan-1-ol.

Molecular Properties

Compound Name3-amino-2-butan-2-ylsulfanyl-4-methylpentan-1-ol
PubChem CID114369959
Molecular FormulaC10H23NOS
Molecular Weight205.37 g/mol
Exact Mass205.15
IUPAC Name3-amino-2-butan-2-ylsulfanyl-4-methylpentan-1-ol
SMILESCCC(C)SC(CO)C(N)C(C)C
InChIInChI=1S/C10H23NOS/c1-5-8(4)13-9(6-12)10(11)7(2)3/h7-10,12H,5-6,11H2,1-4H3
InChIKeyRZVLCWHSKZKZIQ-UHFFFAOYSA-N
XLogP1.86
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 ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-butan-2-ylsulfanyl-4-methylpentan-1-ol?
The IUPAC name of 3-amino-2-butan-2-ylsulfanyl-4-methylpentan-1-ol (CID 114369959) is 3-amino-2-butan-2-ylsulfanyl-4-methylpentan-1-ol.
What is the SMILES notation for 3-amino-2-butan-2-ylsulfanyl-4-methylpentan-1-ol?
The canonical SMILES for 3-amino-2-butan-2-ylsulfanyl-4-methylpentan-1-ol is CCC(C)SC(CO)C(N)C(C)C.
What is the InChIKey of 3-amino-2-butan-2-ylsulfanyl-4-methylpentan-1-ol?
The InChIKey is RZVLCWHSKZKZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NOS/c1-5-8(4)13-9(6-12)10(11)7(2)3/h7-10,12H,5-6,11H2,1-4H3.
What are the key properties of 3-amino-2-butan-2-ylsulfanyl-4-methylpentan-1-ol?
3-amino-2-butan-2-ylsulfanyl-4-methylpentan-1-ol has a molecular weight of 205.37 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-butan-2-ylsulfanyl-4-methylpentan-1-ol is sourced from PubChem (CID 114369959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).