3-ethyl-2-[(sulfamoylamino)methyl]thiophene

C7H12N2O2S2 — CID 71971901

IUPAC3-ethyl-2-[(sulfamoylamino)methyl]thiophene
SMILESCCc1ccsc1CNS(N)(=O)=O
InChIInChI=1S/C7H12N2O2S2/c1-2-6-3-4-12-7(6)5-9-13(8,10)11/h3-4,9H,2,5H2,1H3,(H2,8,10,11)
InChIKeyQYDJEPWPUXBRBH-UHFFFAOYSA-N
MW220.32 g/mol
LogP0.60
Rot. Bonds4

About 3-ethyl-2-[(sulfamoylamino)methyl]thiophene

3-ethyl-2-[(sulfamoylamino)methyl]thiophene (PubChem CID 71971901) has the molecular formula C7H12N2O2S2 and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-ethyl-2-[(sulfamoylamino)methyl]thiophene.

Molecular Properties

Compound Name3-ethyl-2-[(sulfamoylamino)methyl]thiophene
PubChem CID71971901
Molecular FormulaC7H12N2O2S2
Molecular Weight220.32 g/mol
Exact Mass220.03
IUPAC Name3-ethyl-2-[(sulfamoylamino)methyl]thiophene
SMILESCCc1ccsc1CNS(N)(=O)=O
InChIInChI=1S/C7H12N2O2S2/c1-2-6-3-4-12-7(6)5-9-13(8,10)11/h3-4,9H,2,5H2,1H3,(H2,8,10,11)
InChIKeyQYDJEPWPUXBRBH-UHFFFAOYSA-N
XLogP0.60
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-[(sulfamoylamino)methyl]thiophene?
The IUPAC name of 3-ethyl-2-[(sulfamoylamino)methyl]thiophene (CID 71971901) is 3-ethyl-2-[(sulfamoylamino)methyl]thiophene.
What is the SMILES notation for 3-ethyl-2-[(sulfamoylamino)methyl]thiophene?
The canonical SMILES for 3-ethyl-2-[(sulfamoylamino)methyl]thiophene is CCc1ccsc1CNS(N)(=O)=O.
What is the InChIKey of 3-ethyl-2-[(sulfamoylamino)methyl]thiophene?
The InChIKey is QYDJEPWPUXBRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2S2/c1-2-6-3-4-12-7(6)5-9-13(8,10)11/h3-4,9H,2,5H2,1H3,(H2,8,10,11).
What are the key properties of 3-ethyl-2-[(sulfamoylamino)methyl]thiophene?
3-ethyl-2-[(sulfamoylamino)methyl]thiophene has a molecular weight of 220.32 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-[(sulfamoylamino)methyl]thiophene is sourced from PubChem (CID 71971901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).