2-methyl-1-methylsulfanyl-3-[(3-propan-2-ylcyclobutyl)amino]propan-2-ol

C12H25NOS — CID 103578431

IUPAC2-methyl-1-methylsulfanyl-3-[(3-propan-2-ylcyclobutyl)amino]propan-2-ol
SMILESCSCC(C)(O)CNC1CC(C(C)C)C1
InChIInChI=1S/C12H25NOS/c1-9(2)10-5-11(6-10)13-7-12(3,14)8-15-4/h9-11,13-14H,5-8H2,1-4H3
InChIKeyUOKSCUORPHPAOX-UHFFFAOYSA-N
MW231.40 g/mol
LogP2.12
Rot. Bonds6

About 2-methyl-1-methylsulfanyl-3-[(3-propan-2-ylcyclobutyl)amino]propan-2-ol

2-methyl-1-methylsulfanyl-3-[(3-propan-2-ylcyclobutyl)amino]propan-2-ol (PubChem CID 103578431) has the molecular formula C12H25NOS and a molecular weight of 231.40 g/mol. Its IUPAC name is 2-methyl-1-methylsulfanyl-3-[(3-propan-2-ylcyclobutyl)amino]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-methylsulfanyl-3-[(3-propan-2-ylcyclobutyl)amino]propan-2-ol
PubChem CID103578431
Molecular FormulaC12H25NOS
Molecular Weight231.40 g/mol
Exact Mass231.17
IUPAC Name2-methyl-1-methylsulfanyl-3-[(3-propan-2-ylcyclobutyl)amino]propan-2-ol
SMILESCSCC(C)(O)CNC1CC(C(C)C)C1
InChIInChI=1S/C12H25NOS/c1-9(2)10-5-11(6-10)13-7-12(3,14)8-15-4/h9-11,13-14H,5-8H2,1-4H3
InChIKeyUOKSCUORPHPAOX-UHFFFAOYSA-N
XLogP2.12
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.40
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-methylsulfanyl-3-[(3-propan-2-ylcyclobutyl)amino]propan-2-ol?
The IUPAC name of 2-methyl-1-methylsulfanyl-3-[(3-propan-2-ylcyclobutyl)amino]propan-2-ol (CID 103578431) is 2-methyl-1-methylsulfanyl-3-[(3-propan-2-ylcyclobutyl)amino]propan-2-ol.
What is the SMILES notation for 2-methyl-1-methylsulfanyl-3-[(3-propan-2-ylcyclobutyl)amino]propan-2-ol?
The canonical SMILES for 2-methyl-1-methylsulfanyl-3-[(3-propan-2-ylcyclobutyl)amino]propan-2-ol is CSCC(C)(O)CNC1CC(C(C)C)C1.
What is the InChIKey of 2-methyl-1-methylsulfanyl-3-[(3-propan-2-ylcyclobutyl)amino]propan-2-ol?
The InChIKey is UOKSCUORPHPAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NOS/c1-9(2)10-5-11(6-10)13-7-12(3,14)8-15-4/h9-11,13-14H,5-8H2,1-4H3.
What are the key properties of 2-methyl-1-methylsulfanyl-3-[(3-propan-2-ylcyclobutyl)amino]propan-2-ol?
2-methyl-1-methylsulfanyl-3-[(3-propan-2-ylcyclobutyl)amino]propan-2-ol has a molecular weight of 231.40 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-methylsulfanyl-3-[(3-propan-2-ylcyclobutyl)amino]propan-2-ol is sourced from PubChem (CID 103578431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).