4-(2-methylpropylamino)-1,1-dioxothiolan-3-ol

C8H17NO3S — CID 3131600

IUPAC4-(2-methylpropylamino)-1,1-dioxothiolan-3-ol
SMILESCC(C)CNC1CS(=O)(=O)CC1O
InChIInChI=1S/C8H17NO3S/c1-6(2)3-9-7-4-13(11,12)5-8(7)10/h6-10H,3-5H2,1-2H3
InChIKeyASXXODVEVSEVMM-UHFFFAOYSA-N
MW207.29 g/mol
LogP-0.61
Rot. Bonds3

About 4-(2-methylpropylamino)-1,1-dioxothiolan-3-ol

4-(2-methylpropylamino)-1,1-dioxothiolan-3-ol (PubChem CID 3131600) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is 4-(2-methylpropylamino)-1,1-dioxothiolan-3-ol.

Molecular Properties

Compound Name4-(2-methylpropylamino)-1,1-dioxothiolan-3-ol
PubChem CID3131600
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Name4-(2-methylpropylamino)-1,1-dioxothiolan-3-ol
SMILESCC(C)CNC1CS(=O)(=O)CC1O
InChIInChI=1S/C8H17NO3S/c1-6(2)3-9-7-4-13(11,12)5-8(7)10/h6-10H,3-5H2,1-2H3
InChIKeyASXXODVEVSEVMM-UHFFFAOYSA-N
XLogP-0.61
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropylamino)-1,1-dioxothiolan-3-ol?
The IUPAC name of 4-(2-methylpropylamino)-1,1-dioxothiolan-3-ol (CID 3131600) is 4-(2-methylpropylamino)-1,1-dioxothiolan-3-ol.
What is the SMILES notation for 4-(2-methylpropylamino)-1,1-dioxothiolan-3-ol?
The canonical SMILES for 4-(2-methylpropylamino)-1,1-dioxothiolan-3-ol is CC(C)CNC1CS(=O)(=O)CC1O.
What is the InChIKey of 4-(2-methylpropylamino)-1,1-dioxothiolan-3-ol?
The InChIKey is ASXXODVEVSEVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-6(2)3-9-7-4-13(11,12)5-8(7)10/h6-10H,3-5H2,1-2H3.
What are the key properties of 4-(2-methylpropylamino)-1,1-dioxothiolan-3-ol?
4-(2-methylpropylamino)-1,1-dioxothiolan-3-ol has a molecular weight of 207.29 g/mol, XLogP of -0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropylamino)-1,1-dioxothiolan-3-ol is sourced from PubChem (CID 3131600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).