4-[(cyclopropylamino)methyl]-1,1-dioxothian-4-ol

C9H17NO3S — CID 62774131

IUPAC4-[(cyclopropylamino)methyl]-1,1-dioxothian-4-ol
SMILESO=S1(=O)CCC(O)(CNC2CC2)CC1
InChIInChI=1S/C9H17NO3S/c11-9(7-10-8-1-2-8)3-5-14(12,13)6-4-9/h8,10-11H,1-7H2
InChIKeyUFIPZCGUVQTCTQ-UHFFFAOYSA-N
MW219.31 g/mol
LogP-0.32
Rot. Bonds3

About 4-[(cyclopropylamino)methyl]-1,1-dioxothian-4-ol

4-[(cyclopropylamino)methyl]-1,1-dioxothian-4-ol (PubChem CID 62774131) has the molecular formula C9H17NO3S and a molecular weight of 219.31 g/mol. Its IUPAC name is 4-[(cyclopropylamino)methyl]-1,1-dioxothian-4-ol.

Molecular Properties

Compound Name4-[(cyclopropylamino)methyl]-1,1-dioxothian-4-ol
PubChem CID62774131
Molecular FormulaC9H17NO3S
Molecular Weight219.31 g/mol
Exact Mass219.09
IUPAC Name4-[(cyclopropylamino)methyl]-1,1-dioxothian-4-ol
SMILESO=S1(=O)CCC(O)(CNC2CC2)CC1
InChIInChI=1S/C9H17NO3S/c11-9(7-10-8-1-2-8)3-5-14(12,13)6-4-9/h8,10-11H,1-7H2
InChIKeyUFIPZCGUVQTCTQ-UHFFFAOYSA-N
XLogP-0.32
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(cyclopropylamino)methyl]-1,1-dioxothian-4-ol 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 4-[(cyclopropylamino)methyl]-1,1-dioxothian-4-ol?
The IUPAC name of 4-[(cyclopropylamino)methyl]-1,1-dioxothian-4-ol (CID 62774131) is 4-[(cyclopropylamino)methyl]-1,1-dioxothian-4-ol.
What is the SMILES notation for 4-[(cyclopropylamino)methyl]-1,1-dioxothian-4-ol?
The canonical SMILES for 4-[(cyclopropylamino)methyl]-1,1-dioxothian-4-ol is O=S1(=O)CCC(O)(CNC2CC2)CC1.
What is the InChIKey of 4-[(cyclopropylamino)methyl]-1,1-dioxothian-4-ol?
The InChIKey is UFIPZCGUVQTCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3S/c11-9(7-10-8-1-2-8)3-5-14(12,13)6-4-9/h8,10-11H,1-7H2.
What are the key properties of 4-[(cyclopropylamino)methyl]-1,1-dioxothian-4-ol?
4-[(cyclopropylamino)methyl]-1,1-dioxothian-4-ol has a molecular weight of 219.31 g/mol, XLogP of -0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(cyclopropylamino)methyl]-1,1-dioxothian-4-ol is sourced from PubChem (CID 62774131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).