N-[2-[2-[[(3S)-1,1-dioxothiolan-3-yl]sulfonylamino]ethyl-formylamino]ethyl]formamide

C10H19N3O6S2 — CID 99977037

IUPACN-[2-[2-[[(3S)-1,1-dioxothiolan-3-yl]sulfonylamino]ethyl-formylamino]ethyl]formamide
SMILESO=CNCCN(C=O)CCNS(=O)(=O)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C10H19N3O6S2/c14-8-11-2-4-13(9-15)5-3-12-21(18,19)10-1-6-20(16,17)7-10/h8-10,12H,1-7H2,(H,11,14)/t10-/m0/s1
InChIKeyVASUKPIHWZYNBM-JTQLQIEISA-N
MW341.41 g/mol
LogP-2.70
Rot. Bonds10

About N-[2-[2-[[(3S)-1,1-dioxothiolan-3-yl]sulfonylamino]ethyl-formylamino]ethyl]formamide

N-[2-[2-[[(3S)-1,1-dioxothiolan-3-yl]sulfonylamino]ethyl-formylamino]ethyl]formamide (PubChem CID 99977037) has the molecular formula C10H19N3O6S2 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-[2-[2-[[(3S)-1,1-dioxothiolan-3-yl]sulfonylamino]ethyl-formylamino]ethyl]formamide.

Molecular Properties

Compound NameN-[2-[2-[[(3S)-1,1-dioxothiolan-3-yl]sulfonylamino]ethyl-formylamino]ethyl]formamide
PubChem CID99977037
Molecular FormulaC10H19N3O6S2
Molecular Weight341.41 g/mol
Exact Mass341.07
IUPAC NameN-[2-[2-[[(3S)-1,1-dioxothiolan-3-yl]sulfonylamino]ethyl-formylamino]ethyl]formamide
SMILESO=CNCCN(C=O)CCNS(=O)(=O)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C10H19N3O6S2/c14-8-11-2-4-13(9-15)5-3-12-21(18,19)10-1-6-20(16,17)7-10/h8-10,12H,1-7H2,(H,11,14)/t10-/m0/s1
InChIKeyVASUKPIHWZYNBM-JTQLQIEISA-N
XLogP-2.70
TPSA129.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 5-2.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[[(3S)-1,1-dioxothiolan-3-yl]sulfonylamino]ethyl-formylamino]ethyl]formamide?
The IUPAC name of N-[2-[2-[[(3S)-1,1-dioxothiolan-3-yl]sulfonylamino]ethyl-formylamino]ethyl]formamide (CID 99977037) is N-[2-[2-[[(3S)-1,1-dioxothiolan-3-yl]sulfonylamino]ethyl-formylamino]ethyl]formamide.
What is the SMILES notation for N-[2-[2-[[(3S)-1,1-dioxothiolan-3-yl]sulfonylamino]ethyl-formylamino]ethyl]formamide?
The canonical SMILES for N-[2-[2-[[(3S)-1,1-dioxothiolan-3-yl]sulfonylamino]ethyl-formylamino]ethyl]formamide is O=CNCCN(C=O)CCNS(=O)(=O)[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of N-[2-[2-[[(3S)-1,1-dioxothiolan-3-yl]sulfonylamino]ethyl-formylamino]ethyl]formamide?
The InChIKey is VASUKPIHWZYNBM-JTQLQIEISA-N. The full InChI is InChI=1S/C10H19N3O6S2/c14-8-11-2-4-13(9-15)5-3-12-21(18,19)10-1-6-20(16,17)7-10/h8-10,12H,1-7H2,(H,11,14)/t10-/m0/s1.
What are the key properties of N-[2-[2-[[(3S)-1,1-dioxothiolan-3-yl]sulfonylamino]ethyl-formylamino]ethyl]formamide?
N-[2-[2-[[(3S)-1,1-dioxothiolan-3-yl]sulfonylamino]ethyl-formylamino]ethyl]formamide has a molecular weight of 341.41 g/mol, XLogP of -2.70, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[[(3S)-1,1-dioxothiolan-3-yl]sulfonylamino]ethyl-formylamino]ethyl]formamide is sourced from PubChem (CID 99977037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).