[3-(2-methylpropylamino)-1,1-dioxothiolan-3-yl]methanol

C9H19NO3S — CID 63165907

IUPAC[3-(2-methylpropylamino)-1,1-dioxothiolan-3-yl]methanol
SMILESCC(C)CNC1(CO)CCS(=O)(=O)C1
InChIInChI=1S/C9H19NO3S/c1-8(2)5-10-9(6-11)3-4-14(12,13)7-9/h8,10-11H,3-7H2,1-2H3
InChIKeyDOBDLUWULHMCCC-UHFFFAOYSA-N
MW221.32 g/mol
LogP-0.22
Rot. Bonds4

About [3-(2-methylpropylamino)-1,1-dioxothiolan-3-yl]methanol

[3-(2-methylpropylamino)-1,1-dioxothiolan-3-yl]methanol (PubChem CID 63165907) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is [3-(2-methylpropylamino)-1,1-dioxothiolan-3-yl]methanol.

Molecular Properties

Compound Name[3-(2-methylpropylamino)-1,1-dioxothiolan-3-yl]methanol
PubChem CID63165907
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC Name[3-(2-methylpropylamino)-1,1-dioxothiolan-3-yl]methanol
SMILESCC(C)CNC1(CO)CCS(=O)(=O)C1
InChIInChI=1S/C9H19NO3S/c1-8(2)5-10-9(6-11)3-4-14(12,13)7-9/h8,10-11H,3-7H2,1-2H3
InChIKeyDOBDLUWULHMCCC-UHFFFAOYSA-N
XLogP-0.22
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(2-methylpropylamino)-1,1-dioxothiolan-3-yl]methanol?
The IUPAC name of [3-(2-methylpropylamino)-1,1-dioxothiolan-3-yl]methanol (CID 63165907) is [3-(2-methylpropylamino)-1,1-dioxothiolan-3-yl]methanol.
What is the SMILES notation for [3-(2-methylpropylamino)-1,1-dioxothiolan-3-yl]methanol?
The canonical SMILES for [3-(2-methylpropylamino)-1,1-dioxothiolan-3-yl]methanol is CC(C)CNC1(CO)CCS(=O)(=O)C1.
What is the InChIKey of [3-(2-methylpropylamino)-1,1-dioxothiolan-3-yl]methanol?
The InChIKey is DOBDLUWULHMCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-8(2)5-10-9(6-11)3-4-14(12,13)7-9/h8,10-11H,3-7H2,1-2H3.
What are the key properties of [3-(2-methylpropylamino)-1,1-dioxothiolan-3-yl]methanol?
[3-(2-methylpropylamino)-1,1-dioxothiolan-3-yl]methanol has a molecular weight of 221.32 g/mol, XLogP of -0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methylpropylamino)-1,1-dioxothiolan-3-yl]methanol is sourced from PubChem (CID 63165907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).