3-[(2-methylpropan-2-yl)oxymethyl]-1,1-dioxothiolan-3-amine

C9H19NO3S — CID 130564508

IUPAC3-[(2-methylpropan-2-yl)oxymethyl]-1,1-dioxothiolan-3-amine
SMILESCC(C)(C)OCC1(N)CCS(=O)(=O)C1
InChIInChI=1S/C9H19NO3S/c1-8(2,3)13-6-9(10)4-5-14(11,12)7-9/h4-7,10H2,1-3H3
InChIKeyWOHKJJGAYWUFDU-UHFFFAOYSA-N
MW221.32 g/mol
LogP0.32
Rot. Bonds2

About 3-[(2-methylpropan-2-yl)oxymethyl]-1,1-dioxothiolan-3-amine

3-[(2-methylpropan-2-yl)oxymethyl]-1,1-dioxothiolan-3-amine (PubChem CID 130564508) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is 3-[(2-methylpropan-2-yl)oxymethyl]-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound Name3-[(2-methylpropan-2-yl)oxymethyl]-1,1-dioxothiolan-3-amine
PubChem CID130564508
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC Name3-[(2-methylpropan-2-yl)oxymethyl]-1,1-dioxothiolan-3-amine
SMILESCC(C)(C)OCC1(N)CCS(=O)(=O)C1
InChIInChI=1S/C9H19NO3S/c1-8(2,3)13-6-9(10)4-5-14(11,12)7-9/h4-7,10H2,1-3H3
InChIKeyWOHKJJGAYWUFDU-UHFFFAOYSA-N
XLogP0.32
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,2-difluoropropyl)-1,1-dioxothiolan-3-amine
CID 115028281
1,1-dioxo-3-(2,2,2-trifluoroethyl)thiolan-3-amine
CID 105470640
1-[(2-methylpropan-2-yl)oxymethyl]cyclobutan-1-amine
CID 130564464
tert-butyl 2-(3-amino-1,1-dioxothian-3-yl)acetate
CID 115049141
1,1-dioxo-3-[2-(2,2,2-trifluoroethoxy)ethyl]thiolan-3-amine
CID 115338117
3-(cyclohexylmethyl)-1,1-dioxothiolan-3-amine
CID 115338022
1-[2-[(1-aminocyclohexyl)methoxy]propan-2-yloxymethyl]cyclohexan-1-amine
CID 137411601
methyl 2-(4-amino-1,1-dioxothian-4-yl)acetate
CID 75356327
1-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]cycloheptan-1-amine
CID 112590376
N,N-dimethyl-1-[(2-methylpropan-2-yl)oxymethyl]cyclohexan-1-amine
CID 155794114
3-[(3,4-difluorophenyl)methyl]-1,1-dioxothiolan-3-amine
CID 82934572
2-(1-aminocyclopentyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 64685407

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylpropan-2-yl)oxymethyl]-1,1-dioxothiolan-3-amine?
The IUPAC name of 3-[(2-methylpropan-2-yl)oxymethyl]-1,1-dioxothiolan-3-amine (CID 130564508) is 3-[(2-methylpropan-2-yl)oxymethyl]-1,1-dioxothiolan-3-amine.
What is the SMILES notation for 3-[(2-methylpropan-2-yl)oxymethyl]-1,1-dioxothiolan-3-amine?
The canonical SMILES for 3-[(2-methylpropan-2-yl)oxymethyl]-1,1-dioxothiolan-3-amine is CC(C)(C)OCC1(N)CCS(=O)(=O)C1.
What is the InChIKey of 3-[(2-methylpropan-2-yl)oxymethyl]-1,1-dioxothiolan-3-amine?
The InChIKey is WOHKJJGAYWUFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-8(2,3)13-6-9(10)4-5-14(11,12)7-9/h4-7,10H2,1-3H3.
What are the key properties of 3-[(2-methylpropan-2-yl)oxymethyl]-1,1-dioxothiolan-3-amine?
3-[(2-methylpropan-2-yl)oxymethyl]-1,1-dioxothiolan-3-amine has a molecular weight of 221.32 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylpropan-2-yl)oxymethyl]-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 130564508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).