3-[(1,1-dioxothiolan-2-yl)methylamino]-2,2-dimethylpropan-1-ol

C10H21NO3S — CID 81411163

IUPAC3-[(1,1-dioxothiolan-2-yl)methylamino]-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)CNCC1CCCS1(=O)=O
InChIInChI=1S/C10H21NO3S/c1-10(2,8-12)7-11-6-9-4-3-5-15(9,13)14/h9,11-12H,3-8H2,1-2H3
InChIKeyBYQWEDWAOGTHDO-UHFFFAOYSA-N
MW235.35 g/mol
LogP0.17
Rot. Bonds5

About 3-[(1,1-dioxothiolan-2-yl)methylamino]-2,2-dimethylpropan-1-ol

3-[(1,1-dioxothiolan-2-yl)methylamino]-2,2-dimethylpropan-1-ol (PubChem CID 81411163) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is 3-[(1,1-dioxothiolan-2-yl)methylamino]-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-[(1,1-dioxothiolan-2-yl)methylamino]-2,2-dimethylpropan-1-ol
PubChem CID81411163
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC Name3-[(1,1-dioxothiolan-2-yl)methylamino]-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)CNCC1CCCS1(=O)=O
InChIInChI=1S/C10H21NO3S/c1-10(2,8-12)7-11-6-9-4-3-5-15(9,13)14/h9,11-12H,3-8H2,1-2H3
InChIKeyBYQWEDWAOGTHDO-UHFFFAOYSA-N
XLogP0.17
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(1,1-dioxothiolan-2-yl)methylamino]-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-[(1,1-dioxothiolan-2-yl)methylamino]-2,2-dimethylpropan-1-ol (CID 81411163) is 3-[(1,1-dioxothiolan-2-yl)methylamino]-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-[(1,1-dioxothiolan-2-yl)methylamino]-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-[(1,1-dioxothiolan-2-yl)methylamino]-2,2-dimethylpropan-1-ol is CC(C)(CO)CNCC1CCCS1(=O)=O.
What is the InChIKey of 3-[(1,1-dioxothiolan-2-yl)methylamino]-2,2-dimethylpropan-1-ol?
The InChIKey is BYQWEDWAOGTHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-10(2,8-12)7-11-6-9-4-3-5-15(9,13)14/h9,11-12H,3-8H2,1-2H3.
What are the key properties of 3-[(1,1-dioxothiolan-2-yl)methylamino]-2,2-dimethylpropan-1-ol?
3-[(1,1-dioxothiolan-2-yl)methylamino]-2,2-dimethylpropan-1-ol has a molecular weight of 235.35 g/mol, XLogP of 0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,1-dioxothiolan-2-yl)methylamino]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 81411163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).