1-amino-4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]butan-2-ol

C11H18N2OS — CID 102926755

IUPAC1-amino-4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]butan-2-ol
SMILESCc1cc(C)nc(SCCC(O)CN)c1
InChIInChI=1S/C11H18N2OS/c1-8-5-9(2)13-11(6-8)15-4-3-10(14)7-12/h5-6,10,14H,3-4,7,12H2,1-2H3
InChIKeyLVFUONBRFADZJA-UHFFFAOYSA-N
MW226.34 g/mol
LogP1.50
Rot. Bonds5

About 1-amino-4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]butan-2-ol

1-amino-4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]butan-2-ol (PubChem CID 102926755) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 1-amino-4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]butan-2-ol.

Molecular Properties

Compound Name1-amino-4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]butan-2-ol
PubChem CID102926755
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name1-amino-4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]butan-2-ol
SMILESCc1cc(C)nc(SCCC(O)CN)c1
InChIInChI=1S/C11H18N2OS/c1-8-5-9(2)13-11(6-8)15-4-3-10(14)7-12/h5-6,10,14H,3-4,7,12H2,1-2H3
InChIKeyLVFUONBRFADZJA-UHFFFAOYSA-N
XLogP1.50
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-amino-4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]butan-2-ol?
The IUPAC name of 1-amino-4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]butan-2-ol (CID 102926755) is 1-amino-4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]butan-2-ol.
What is the SMILES notation for 1-amino-4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]butan-2-ol?
The canonical SMILES for 1-amino-4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]butan-2-ol is Cc1cc(C)nc(SCCC(O)CN)c1.
What is the InChIKey of 1-amino-4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]butan-2-ol?
The InChIKey is LVFUONBRFADZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-8-5-9(2)13-11(6-8)15-4-3-10(14)7-12/h5-6,10,14H,3-4,7,12H2,1-2H3.
What are the key properties of 1-amino-4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]butan-2-ol?
1-amino-4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]butan-2-ol has a molecular weight of 226.34 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]butan-2-ol is sourced from PubChem (CID 102926755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).