N-(3-amino-2,2-difluoropropyl)-1,1-dioxothiane-2-carboxamide

C9H16F2N2O3S — CID 114383515

IUPACN-(3-amino-2,2-difluoropropyl)-1,1-dioxothiane-2-carboxamide
SMILESNCC(F)(F)CNC(=O)C1CCCCS1(=O)=O
InChIInChI=1S/C9H16F2N2O3S/c10-9(11,5-12)6-13-8(14)7-3-1-2-4-17(7,15)16/h7H,1-6,12H2,(H,13,14)
InChIKeyTXEJKISALWDYDD-UHFFFAOYSA-N
MW270.30 g/mol
LogP-0.34
Rot. Bonds4

About N-(3-amino-2,2-difluoropropyl)-1,1-dioxothiane-2-carboxamide

N-(3-amino-2,2-difluoropropyl)-1,1-dioxothiane-2-carboxamide (PubChem CID 114383515) has the molecular formula C9H16F2N2O3S and a molecular weight of 270.30 g/mol. Its IUPAC name is N-(3-amino-2,2-difluoropropyl)-1,1-dioxothiane-2-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-difluoropropyl)-1,1-dioxothiane-2-carboxamide
PubChem CID114383515
Molecular FormulaC9H16F2N2O3S
Molecular Weight270.30 g/mol
Exact Mass270.08
IUPAC NameN-(3-amino-2,2-difluoropropyl)-1,1-dioxothiane-2-carboxamide
SMILESNCC(F)(F)CNC(=O)C1CCCCS1(=O)=O
InChIInChI=1S/C9H16F2N2O3S/c10-9(11,5-12)6-13-8(14)7-3-1-2-4-17(7,15)16/h7H,1-6,12H2,(H,13,14)
InChIKeyTXEJKISALWDYDD-UHFFFAOYSA-N
XLogP-0.34
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3-amino-2,2-difluoropropyl)-1,1-dioxothiane-2-carboxamide 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 N-(3-amino-2,2-difluoropropyl)-1,1-dioxothiane-2-carboxamide?
The IUPAC name of N-(3-amino-2,2-difluoropropyl)-1,1-dioxothiane-2-carboxamide (CID 114383515) is N-(3-amino-2,2-difluoropropyl)-1,1-dioxothiane-2-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-difluoropropyl)-1,1-dioxothiane-2-carboxamide?
The canonical SMILES for N-(3-amino-2,2-difluoropropyl)-1,1-dioxothiane-2-carboxamide is NCC(F)(F)CNC(=O)C1CCCCS1(=O)=O.
What is the InChIKey of N-(3-amino-2,2-difluoropropyl)-1,1-dioxothiane-2-carboxamide?
The InChIKey is TXEJKISALWDYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N2O3S/c10-9(11,5-12)6-13-8(14)7-3-1-2-4-17(7,15)16/h7H,1-6,12H2,(H,13,14).
What are the key properties of N-(3-amino-2,2-difluoropropyl)-1,1-dioxothiane-2-carboxamide?
N-(3-amino-2,2-difluoropropyl)-1,1-dioxothiane-2-carboxamide has a molecular weight of 270.30 g/mol, XLogP of -0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-difluoropropyl)-1,1-dioxothiane-2-carboxamide is sourced from PubChem (CID 114383515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).