N-[[3-(1,1-dioxothiolan-3-yl)oxolan-3-yl]methyl]-2-methylpropan-2-amine

C13H25NO3S — CID 62718363

IUPACN-[[3-(1,1-dioxothiolan-3-yl)oxolan-3-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1(C2CCS(=O)(=O)C2)CCOC1
InChIInChI=1S/C13H25NO3S/c1-12(2,3)14-9-13(5-6-17-10-13)11-4-7-18(15,16)8-11/h11,14H,4-10H2,1-3H3
InChIKeyGZWCSCJUNIKTKQ-UHFFFAOYSA-N
MW275.41 g/mol
LogP1.22
Rot. Bonds3

About N-[[3-(1,1-dioxothiolan-3-yl)oxolan-3-yl]methyl]-2-methylpropan-2-amine

N-[[3-(1,1-dioxothiolan-3-yl)oxolan-3-yl]methyl]-2-methylpropan-2-amine (PubChem CID 62718363) has the molecular formula C13H25NO3S and a molecular weight of 275.41 g/mol. Its IUPAC name is N-[[3-(1,1-dioxothiolan-3-yl)oxolan-3-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-(1,1-dioxothiolan-3-yl)oxolan-3-yl]methyl]-2-methylpropan-2-amine
PubChem CID62718363
Molecular FormulaC13H25NO3S
Molecular Weight275.41 g/mol
Exact Mass275.16
IUPAC NameN-[[3-(1,1-dioxothiolan-3-yl)oxolan-3-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1(C2CCS(=O)(=O)C2)CCOC1
InChIInChI=1S/C13H25NO3S/c1-12(2,3)14-9-13(5-6-17-10-13)11-4-7-18(15,16)8-11/h11,14H,4-10H2,1-3H3
InChIKeyGZWCSCJUNIKTKQ-UHFFFAOYSA-N
XLogP1.22
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.41
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(1,1-dioxothiolan-3-yl)oxolan-3-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[3-(1,1-dioxothiolan-3-yl)oxolan-3-yl]methyl]-2-methylpropan-2-amine (CID 62718363) is N-[[3-(1,1-dioxothiolan-3-yl)oxolan-3-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[3-(1,1-dioxothiolan-3-yl)oxolan-3-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[3-(1,1-dioxothiolan-3-yl)oxolan-3-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCC1(C2CCS(=O)(=O)C2)CCOC1.
What is the InChIKey of N-[[3-(1,1-dioxothiolan-3-yl)oxolan-3-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is GZWCSCJUNIKTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3S/c1-12(2,3)14-9-13(5-6-17-10-13)11-4-7-18(15,16)8-11/h11,14H,4-10H2,1-3H3.
What are the key properties of N-[[3-(1,1-dioxothiolan-3-yl)oxolan-3-yl]methyl]-2-methylpropan-2-amine?
N-[[3-(1,1-dioxothiolan-3-yl)oxolan-3-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 275.41 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1,1-dioxothiolan-3-yl)oxolan-3-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62718363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).