3-amino-N-(1,1-dioxothiolan-3-yl)propane-1-sulfonamide

C7H16N2O4S2 — CID 60910117

IUPAC3-amino-N-(1,1-dioxothiolan-3-yl)propane-1-sulfonamide
SMILESNCCCS(=O)(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C7H16N2O4S2/c8-3-1-4-15(12,13)9-7-2-5-14(10,11)6-7/h7,9H,1-6,8H2
InChIKeyOAXQIZZCMBTZPG-UHFFFAOYSA-N
MW256.35 g/mol
LogP-1.56
Rot. Bonds5

About 3-amino-N-(1,1-dioxothiolan-3-yl)propane-1-sulfonamide

3-amino-N-(1,1-dioxothiolan-3-yl)propane-1-sulfonamide (PubChem CID 60910117) has the molecular formula C7H16N2O4S2 and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-amino-N-(1,1-dioxothiolan-3-yl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-amino-N-(1,1-dioxothiolan-3-yl)propane-1-sulfonamide
PubChem CID60910117
Molecular FormulaC7H16N2O4S2
Molecular Weight256.35 g/mol
Exact Mass256.06
IUPAC Name3-amino-N-(1,1-dioxothiolan-3-yl)propane-1-sulfonamide
SMILESNCCCS(=O)(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C7H16N2O4S2/c8-3-1-4-15(12,13)9-7-2-5-14(10,11)6-7/h7,9H,1-6,8H2
InChIKeyOAXQIZZCMBTZPG-UHFFFAOYSA-N
XLogP-1.56
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 5-1.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1,1-dioxothiolan-3-yl)propane-1-sulfonamide?
The IUPAC name of 3-amino-N-(1,1-dioxothiolan-3-yl)propane-1-sulfonamide (CID 60910117) is 3-amino-N-(1,1-dioxothiolan-3-yl)propane-1-sulfonamide.
What is the SMILES notation for 3-amino-N-(1,1-dioxothiolan-3-yl)propane-1-sulfonamide?
The canonical SMILES for 3-amino-N-(1,1-dioxothiolan-3-yl)propane-1-sulfonamide is NCCCS(=O)(=O)NC1CCS(=O)(=O)C1.
What is the InChIKey of 3-amino-N-(1,1-dioxothiolan-3-yl)propane-1-sulfonamide?
The InChIKey is OAXQIZZCMBTZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O4S2/c8-3-1-4-15(12,13)9-7-2-5-14(10,11)6-7/h7,9H,1-6,8H2.
What are the key properties of 3-amino-N-(1,1-dioxothiolan-3-yl)propane-1-sulfonamide?
3-amino-N-(1,1-dioxothiolan-3-yl)propane-1-sulfonamide has a molecular weight of 256.35 g/mol, XLogP of -1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1,1-dioxothiolan-3-yl)propane-1-sulfonamide is sourced from PubChem (CID 60910117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).