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

C12H25NO3S — CID 62272218

IUPAC2-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-2-methylpentan-1-ol
SMILESCCCC(C)(CO)CN(C)C1CCS(=O)(=O)C1
InChIInChI=1S/C12H25NO3S/c1-4-6-12(2,10-14)9-13(3)11-5-7-17(15,16)8-11/h11,14H,4-10H2,1-3H3
InChIKeyDEZCJRUUXVRPPU-UHFFFAOYSA-N
MW263.40 g/mol
LogP0.90
Rot. Bonds6

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

2-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-2-methylpentan-1-ol (PubChem CID 62272218) has the molecular formula C12H25NO3S and a molecular weight of 263.40 g/mol. Its IUPAC name is 2-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-2-methylpentan-1-ol.

Molecular Properties

Compound Name2-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-2-methylpentan-1-ol
PubChem CID62272218
Molecular FormulaC12H25NO3S
Molecular Weight263.40 g/mol
Exact Mass263.16
IUPAC Name2-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-2-methylpentan-1-ol
SMILESCCCC(C)(CO)CN(C)C1CCS(=O)(=O)C1
InChIInChI=1S/C12H25NO3S/c1-4-6-12(2,10-14)9-13(3)11-5-7-17(15,16)8-11/h11,14H,4-10H2,1-3H3
InChIKeyDEZCJRUUXVRPPU-UHFFFAOYSA-N
XLogP0.90
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-2-methylpentan-1-ol?
The IUPAC name of 2-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-2-methylpentan-1-ol (CID 62272218) is 2-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-2-methylpentan-1-ol.
What is the SMILES notation for 2-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-2-methylpentan-1-ol?
The canonical SMILES for 2-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-2-methylpentan-1-ol is CCCC(C)(CO)CN(C)C1CCS(=O)(=O)C1.
What is the InChIKey of 2-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-2-methylpentan-1-ol?
The InChIKey is DEZCJRUUXVRPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3S/c1-4-6-12(2,10-14)9-13(3)11-5-7-17(15,16)8-11/h11,14H,4-10H2,1-3H3.
What are the key properties of 2-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-2-methylpentan-1-ol?
2-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-2-methylpentan-1-ol has a molecular weight of 263.40 g/mol, XLogP of 0.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-2-methylpentan-1-ol is sourced from PubChem (CID 62272218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).