4-[di(propan-2-yl)amino]-1,1-dioxothiolan-3-ol

C10H21NO3S — CID 21179778

IUPAC4-[di(propan-2-yl)amino]-1,1-dioxothiolan-3-ol
SMILESCC(C)N(C(C)C)C1CS(=O)(=O)CC1O
InChIInChI=1S/C10H21NO3S/c1-7(2)11(8(3)4)9-5-15(13,14)6-10(9)12/h7-10,12H,5-6H2,1-4H3
InChIKeyJNAJAIZYPFSAGB-UHFFFAOYSA-N
MW235.35 g/mol
LogP0.26
Rot. Bonds3

About 4-[di(propan-2-yl)amino]-1,1-dioxothiolan-3-ol

4-[di(propan-2-yl)amino]-1,1-dioxothiolan-3-ol (PubChem CID 21179778) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is 4-[di(propan-2-yl)amino]-1,1-dioxothiolan-3-ol.

Molecular Properties

Compound Name4-[di(propan-2-yl)amino]-1,1-dioxothiolan-3-ol
PubChem CID21179778
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC Name4-[di(propan-2-yl)amino]-1,1-dioxothiolan-3-ol
SMILESCC(C)N(C(C)C)C1CS(=O)(=O)CC1O
InChIInChI=1S/C10H21NO3S/c1-7(2)11(8(3)4)9-5-15(13,14)6-10(9)12/h7-10,12H,5-6H2,1-4H3
InChIKeyJNAJAIZYPFSAGB-UHFFFAOYSA-N
XLogP0.26
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[di(propan-2-yl)amino]-1,1-dioxothiolan-3-ol?
The IUPAC name of 4-[di(propan-2-yl)amino]-1,1-dioxothiolan-3-ol (CID 21179778) is 4-[di(propan-2-yl)amino]-1,1-dioxothiolan-3-ol.
What is the SMILES notation for 4-[di(propan-2-yl)amino]-1,1-dioxothiolan-3-ol?
The canonical SMILES for 4-[di(propan-2-yl)amino]-1,1-dioxothiolan-3-ol is CC(C)N(C(C)C)C1CS(=O)(=O)CC1O.
What is the InChIKey of 4-[di(propan-2-yl)amino]-1,1-dioxothiolan-3-ol?
The InChIKey is JNAJAIZYPFSAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-7(2)11(8(3)4)9-5-15(13,14)6-10(9)12/h7-10,12H,5-6H2,1-4H3.
What are the key properties of 4-[di(propan-2-yl)amino]-1,1-dioxothiolan-3-ol?
4-[di(propan-2-yl)amino]-1,1-dioxothiolan-3-ol has a molecular weight of 235.35 g/mol, XLogP of 0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[di(propan-2-yl)amino]-1,1-dioxothiolan-3-ol is sourced from PubChem (CID 21179778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).