2-methyl-3-[(2-methyl-3-methylsulfanylpropyl)amino]butan-2-ol

C10H23NOS — CID 65337905

IUPAC2-methyl-3-[(2-methyl-3-methylsulfanylpropyl)amino]butan-2-ol
SMILESCSCC(C)CNC(C)C(C)(C)O
InChIInChI=1S/C10H23NOS/c1-8(7-13-5)6-11-9(2)10(3,4)12/h8-9,11-12H,6-7H2,1-5H3
InChIKeyWQDAJSMBKRQSMC-UHFFFAOYSA-N
MW205.37 g/mol
LogP1.73
Rot. Bonds6

About 2-methyl-3-[(2-methyl-3-methylsulfanylpropyl)amino]butan-2-ol

2-methyl-3-[(2-methyl-3-methylsulfanylpropyl)amino]butan-2-ol (PubChem CID 65337905) has the molecular formula C10H23NOS and a molecular weight of 205.37 g/mol. Its IUPAC name is 2-methyl-3-[(2-methyl-3-methylsulfanylpropyl)amino]butan-2-ol.

Molecular Properties

Compound Name2-methyl-3-[(2-methyl-3-methylsulfanylpropyl)amino]butan-2-ol
PubChem CID65337905
Molecular FormulaC10H23NOS
Molecular Weight205.37 g/mol
Exact Mass205.15
IUPAC Name2-methyl-3-[(2-methyl-3-methylsulfanylpropyl)amino]butan-2-ol
SMILESCSCC(C)CNC(C)C(C)(C)O
InChIInChI=1S/C10H23NOS/c1-8(7-13-5)6-11-9(2)10(3,4)12/h8-9,11-12H,6-7H2,1-5H3
InChIKeyWQDAJSMBKRQSMC-UHFFFAOYSA-N
XLogP1.73
TPSA32.26 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 ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(2-methyl-3-methylsulfanylpropyl)amino]butan-2-ol?
The IUPAC name of 2-methyl-3-[(2-methyl-3-methylsulfanylpropyl)amino]butan-2-ol (CID 65337905) is 2-methyl-3-[(2-methyl-3-methylsulfanylpropyl)amino]butan-2-ol.
What is the SMILES notation for 2-methyl-3-[(2-methyl-3-methylsulfanylpropyl)amino]butan-2-ol?
The canonical SMILES for 2-methyl-3-[(2-methyl-3-methylsulfanylpropyl)amino]butan-2-ol is CSCC(C)CNC(C)C(C)(C)O.
What is the InChIKey of 2-methyl-3-[(2-methyl-3-methylsulfanylpropyl)amino]butan-2-ol?
The InChIKey is WQDAJSMBKRQSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NOS/c1-8(7-13-5)6-11-9(2)10(3,4)12/h8-9,11-12H,6-7H2,1-5H3.
What are the key properties of 2-methyl-3-[(2-methyl-3-methylsulfanylpropyl)amino]butan-2-ol?
2-methyl-3-[(2-methyl-3-methylsulfanylpropyl)amino]butan-2-ol has a molecular weight of 205.37 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(2-methyl-3-methylsulfanylpropyl)amino]butan-2-ol is sourced from PubChem (CID 65337905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).