1,1-dioxo-N,N-di(propan-2-yl)-2,3-dihydrothiophen-3-amine

C10H19NO2S — CID 21179698

IUPAC1,1-dioxo-N,N-di(propan-2-yl)-2,3-dihydrothiophen-3-amine
SMILESCC(C)N(C(C)C)C1C=CS(=O)(=O)C1
InChIInChI=1S/C10H19NO2S/c1-8(2)11(9(3)4)10-5-6-14(12,13)7-10/h5-6,8-10H,7H2,1-4H3
InChIKeyABIPFWFSHQOFBE-UHFFFAOYSA-N
MW217.33 g/mol
LogP1.42
Rot. Bonds3

About 1,1-dioxo-N,N-di(propan-2-yl)-2,3-dihydrothiophen-3-amine

1,1-dioxo-N,N-di(propan-2-yl)-2,3-dihydrothiophen-3-amine (PubChem CID 21179698) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is 1,1-dioxo-N,N-di(propan-2-yl)-2,3-dihydrothiophen-3-amine.

Molecular Properties

Compound Name1,1-dioxo-N,N-di(propan-2-yl)-2,3-dihydrothiophen-3-amine
PubChem CID21179698
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC Name1,1-dioxo-N,N-di(propan-2-yl)-2,3-dihydrothiophen-3-amine
SMILESCC(C)N(C(C)C)C1C=CS(=O)(=O)C1
InChIInChI=1S/C10H19NO2S/c1-8(2)11(9(3)4)10-5-6-14(12,13)7-10/h5-6,8-10H,7H2,1-4H3
InChIKeyABIPFWFSHQOFBE-UHFFFAOYSA-N
XLogP1.42
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-N,N-di(propan-2-yl)-2,3-dihydrothiophen-3-amine?
The IUPAC name of 1,1-dioxo-N,N-di(propan-2-yl)-2,3-dihydrothiophen-3-amine (CID 21179698) is 1,1-dioxo-N,N-di(propan-2-yl)-2,3-dihydrothiophen-3-amine.
What is the SMILES notation for 1,1-dioxo-N,N-di(propan-2-yl)-2,3-dihydrothiophen-3-amine?
The canonical SMILES for 1,1-dioxo-N,N-di(propan-2-yl)-2,3-dihydrothiophen-3-amine is CC(C)N(C(C)C)C1C=CS(=O)(=O)C1.
What is the InChIKey of 1,1-dioxo-N,N-di(propan-2-yl)-2,3-dihydrothiophen-3-amine?
The InChIKey is ABIPFWFSHQOFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-8(2)11(9(3)4)10-5-6-14(12,13)7-10/h5-6,8-10H,7H2,1-4H3.
What are the key properties of 1,1-dioxo-N,N-di(propan-2-yl)-2,3-dihydrothiophen-3-amine?
1,1-dioxo-N,N-di(propan-2-yl)-2,3-dihydrothiophen-3-amine has a molecular weight of 217.33 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-N,N-di(propan-2-yl)-2,3-dihydrothiophen-3-amine is sourced from PubChem (CID 21179698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).