2-methyl-1-[(2-methylthiolan-3-yl)amino]pentan-2-ol

C11H23NOS — CID 102672150

IUPAC2-methyl-1-[(2-methylthiolan-3-yl)amino]pentan-2-ol
SMILESCCCC(C)(O)CNC1CCSC1C
InChIInChI=1S/C11H23NOS/c1-4-6-11(3,13)8-12-10-5-7-14-9(10)2/h9-10,12-13H,4-8H2,1-3H3
InChIKeyXVYVWFLUDAYFFP-UHFFFAOYSA-N
MW217.38 g/mol
LogP2.02
Rot. Bonds5

About 2-methyl-1-[(2-methylthiolan-3-yl)amino]pentan-2-ol

2-methyl-1-[(2-methylthiolan-3-yl)amino]pentan-2-ol (PubChem CID 102672150) has the molecular formula C11H23NOS and a molecular weight of 217.38 g/mol. Its IUPAC name is 2-methyl-1-[(2-methylthiolan-3-yl)amino]pentan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[(2-methylthiolan-3-yl)amino]pentan-2-ol
PubChem CID102672150
Molecular FormulaC11H23NOS
Molecular Weight217.38 g/mol
Exact Mass217.15
IUPAC Name2-methyl-1-[(2-methylthiolan-3-yl)amino]pentan-2-ol
SMILESCCCC(C)(O)CNC1CCSC1C
InChIInChI=1S/C11H23NOS/c1-4-6-11(3,13)8-12-10-5-7-14-9(10)2/h9-10,12-13H,4-8H2,1-3H3
InChIKeyXVYVWFLUDAYFFP-UHFFFAOYSA-N
XLogP2.02
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.38
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(2-methylthiolan-3-yl)amino]pentan-2-ol?
The IUPAC name of 2-methyl-1-[(2-methylthiolan-3-yl)amino]pentan-2-ol (CID 102672150) is 2-methyl-1-[(2-methylthiolan-3-yl)amino]pentan-2-ol.
What is the SMILES notation for 2-methyl-1-[(2-methylthiolan-3-yl)amino]pentan-2-ol?
The canonical SMILES for 2-methyl-1-[(2-methylthiolan-3-yl)amino]pentan-2-ol is CCCC(C)(O)CNC1CCSC1C.
What is the InChIKey of 2-methyl-1-[(2-methylthiolan-3-yl)amino]pentan-2-ol?
The InChIKey is XVYVWFLUDAYFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NOS/c1-4-6-11(3,13)8-12-10-5-7-14-9(10)2/h9-10,12-13H,4-8H2,1-3H3.
What are the key properties of 2-methyl-1-[(2-methylthiolan-3-yl)amino]pentan-2-ol?
2-methyl-1-[(2-methylthiolan-3-yl)amino]pentan-2-ol has a molecular weight of 217.38 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(2-methylthiolan-3-yl)amino]pentan-2-ol is sourced from PubChem (CID 102672150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).