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

C9H19NO3S — CID 63166437

IUPAC[3-(butan-2-ylamino)-1,1-dioxothiolan-3-yl]methanol
SMILESCCC(C)NC1(CO)CCS(=O)(=O)C1
InChIInChI=1S/C9H19NO3S/c1-3-8(2)10-9(6-11)4-5-14(12,13)7-9/h8,10-11H,3-7H2,1-2H3
InChIKeyAFUJKPHCSVKZAW-UHFFFAOYSA-N
MW221.32 g/mol
LogP-0.08
Rot. Bonds4

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

[3-(butan-2-ylamino)-1,1-dioxothiolan-3-yl]methanol (PubChem CID 63166437) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is [3-(butan-2-ylamino)-1,1-dioxothiolan-3-yl]methanol.

Molecular Properties

Compound Name[3-(butan-2-ylamino)-1,1-dioxothiolan-3-yl]methanol
PubChem CID63166437
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC Name[3-(butan-2-ylamino)-1,1-dioxothiolan-3-yl]methanol
SMILESCCC(C)NC1(CO)CCS(=O)(=O)C1
InChIInChI=1S/C9H19NO3S/c1-3-8(2)10-9(6-11)4-5-14(12,13)7-9/h8,10-11H,3-7H2,1-2H3
InChIKeyAFUJKPHCSVKZAW-UHFFFAOYSA-N
XLogP-0.08
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 ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [3-(butan-2-ylamino)-1,1-dioxothiolan-3-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-(butan-2-ylamino)-1,1-dioxothiolan-3-yl]methanol?
The IUPAC name of [3-(butan-2-ylamino)-1,1-dioxothiolan-3-yl]methanol (CID 63166437) is [3-(butan-2-ylamino)-1,1-dioxothiolan-3-yl]methanol.
What is the SMILES notation for [3-(butan-2-ylamino)-1,1-dioxothiolan-3-yl]methanol?
The canonical SMILES for [3-(butan-2-ylamino)-1,1-dioxothiolan-3-yl]methanol is CCC(C)NC1(CO)CCS(=O)(=O)C1.
What is the InChIKey of [3-(butan-2-ylamino)-1,1-dioxothiolan-3-yl]methanol?
The InChIKey is AFUJKPHCSVKZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-3-8(2)10-9(6-11)4-5-14(12,13)7-9/h8,10-11H,3-7H2,1-2H3.
What are the key properties of [3-(butan-2-ylamino)-1,1-dioxothiolan-3-yl]methanol?
[3-(butan-2-ylamino)-1,1-dioxothiolan-3-yl]methanol has a molecular weight of 221.32 g/mol, XLogP of -0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(butan-2-ylamino)-1,1-dioxothiolan-3-yl]methanol is sourced from PubChem (CID 63166437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).