2-methyl-3-[(2-methylthiolan-2-yl)methylamino]butan-2-ol

C11H23NOS — CID 80727070

IUPAC2-methyl-3-[(2-methylthiolan-2-yl)methylamino]butan-2-ol
SMILESCC(NCC1(C)CCCS1)C(C)(C)O
InChIInChI=1S/C11H23NOS/c1-9(10(2,3)13)12-8-11(4)6-5-7-14-11/h9,12-13H,5-8H2,1-4H3
InChIKeyIFIPNLWUXKDQGD-UHFFFAOYSA-N
MW217.38 g/mol
LogP2.02
Rot. Bonds4

About 2-methyl-3-[(2-methylthiolan-2-yl)methylamino]butan-2-ol

2-methyl-3-[(2-methylthiolan-2-yl)methylamino]butan-2-ol (PubChem CID 80727070) has the molecular formula C11H23NOS and a molecular weight of 217.38 g/mol. Its IUPAC name is 2-methyl-3-[(2-methylthiolan-2-yl)methylamino]butan-2-ol.

Molecular Properties

Compound Name2-methyl-3-[(2-methylthiolan-2-yl)methylamino]butan-2-ol
PubChem CID80727070
Molecular FormulaC11H23NOS
Molecular Weight217.38 g/mol
Exact Mass217.15
IUPAC Name2-methyl-3-[(2-methylthiolan-2-yl)methylamino]butan-2-ol
SMILESCC(NCC1(C)CCCS1)C(C)(C)O
InChIInChI=1S/C11H23NOS/c1-9(10(2,3)13)12-8-11(4)6-5-7-14-11/h9,12-13H,5-8H2,1-4H3
InChIKeyIFIPNLWUXKDQGD-UHFFFAOYSA-N
XLogP2.02
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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-3-[(2-methylthiolan-2-yl)methylamino]butan-2-ol?
The IUPAC name of 2-methyl-3-[(2-methylthiolan-2-yl)methylamino]butan-2-ol (CID 80727070) is 2-methyl-3-[(2-methylthiolan-2-yl)methylamino]butan-2-ol.
What is the SMILES notation for 2-methyl-3-[(2-methylthiolan-2-yl)methylamino]butan-2-ol?
The canonical SMILES for 2-methyl-3-[(2-methylthiolan-2-yl)methylamino]butan-2-ol is CC(NCC1(C)CCCS1)C(C)(C)O.
What is the InChIKey of 2-methyl-3-[(2-methylthiolan-2-yl)methylamino]butan-2-ol?
The InChIKey is IFIPNLWUXKDQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NOS/c1-9(10(2,3)13)12-8-11(4)6-5-7-14-11/h9,12-13H,5-8H2,1-4H3.
What are the key properties of 2-methyl-3-[(2-methylthiolan-2-yl)methylamino]butan-2-ol?
2-methyl-3-[(2-methylthiolan-2-yl)methylamino]butan-2-ol has a molecular weight of 217.38 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(2-methylthiolan-2-yl)methylamino]butan-2-ol is sourced from PubChem (CID 80727070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).