N-[(3-hydroxythiolan-3-yl)methyl]-2-[methyl(propan-2-yl)amino]acetamide

C11H22N2O2S — CID 71981877

IUPACN-[(3-hydroxythiolan-3-yl)methyl]-2-[methyl(propan-2-yl)amino]acetamide
SMILESCC(C)N(C)CC(=O)NCC1(O)CCSC1
InChIInChI=1S/C11H22N2O2S/c1-9(2)13(3)6-10(14)12-7-11(15)4-5-16-8-11/h9,15H,4-8H2,1-3H3,(H,12,14)
InChIKeyQHMZSPRBTKAOQL-UHFFFAOYSA-N
MW246.38 g/mol
LogP0.31
Rot. Bonds5

About N-[(3-hydroxythiolan-3-yl)methyl]-2-[methyl(propan-2-yl)amino]acetamide

N-[(3-hydroxythiolan-3-yl)methyl]-2-[methyl(propan-2-yl)amino]acetamide (PubChem CID 71981877) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is N-[(3-hydroxythiolan-3-yl)methyl]-2-[methyl(propan-2-yl)amino]acetamide.

Molecular Properties

Compound NameN-[(3-hydroxythiolan-3-yl)methyl]-2-[methyl(propan-2-yl)amino]acetamide
PubChem CID71981877
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC NameN-[(3-hydroxythiolan-3-yl)methyl]-2-[methyl(propan-2-yl)amino]acetamide
SMILESCC(C)N(C)CC(=O)NCC1(O)CCSC1
InChIInChI=1S/C11H22N2O2S/c1-9(2)13(3)6-10(14)12-7-11(15)4-5-16-8-11/h9,15H,4-8H2,1-3H3,(H,12,14)
InChIKeyQHMZSPRBTKAOQL-UHFFFAOYSA-N
XLogP0.31
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxythiolan-3-yl)methyl]-2-[methyl(propan-2-yl)amino]acetamide?
The IUPAC name of N-[(3-hydroxythiolan-3-yl)methyl]-2-[methyl(propan-2-yl)amino]acetamide (CID 71981877) is N-[(3-hydroxythiolan-3-yl)methyl]-2-[methyl(propan-2-yl)amino]acetamide.
What is the SMILES notation for N-[(3-hydroxythiolan-3-yl)methyl]-2-[methyl(propan-2-yl)amino]acetamide?
The canonical SMILES for N-[(3-hydroxythiolan-3-yl)methyl]-2-[methyl(propan-2-yl)amino]acetamide is CC(C)N(C)CC(=O)NCC1(O)CCSC1.
What is the InChIKey of N-[(3-hydroxythiolan-3-yl)methyl]-2-[methyl(propan-2-yl)amino]acetamide?
The InChIKey is QHMZSPRBTKAOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S/c1-9(2)13(3)6-10(14)12-7-11(15)4-5-16-8-11/h9,15H,4-8H2,1-3H3,(H,12,14).
What are the key properties of N-[(3-hydroxythiolan-3-yl)methyl]-2-[methyl(propan-2-yl)amino]acetamide?
N-[(3-hydroxythiolan-3-yl)methyl]-2-[methyl(propan-2-yl)amino]acetamide has a molecular weight of 246.38 g/mol, XLogP of 0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxythiolan-3-yl)methyl]-2-[methyl(propan-2-yl)amino]acetamide is sourced from PubChem (CID 71981877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).