(3E)-2-methyl-3-[2-(sulfamoylamino)ethoxyimino]but-1-ene

C7H15N3O3S — CID 134204253

IUPAC(3E)-2-methyl-3-[2-(sulfamoylamino)ethoxyimino]but-1-ene
SMILESC=C(C)/C(C)=N/OCCNS(N)(=O)=O
InChIInChI=1S/C7H15N3O3S/c1-6(2)7(3)10-13-5-4-9-14(8,11)12/h9H,1,4-5H2,2-3H3,(H2,8,11,12)/b10-7+
InChIKeyFERLVUDUHYVLPP-JXMROGBWSA-N
MW221.28 g/mol
LogP-0.25
Rot. Bonds6

About (3E)-2-methyl-3-[2-(sulfamoylamino)ethoxyimino]but-1-ene

(3E)-2-methyl-3-[2-(sulfamoylamino)ethoxyimino]but-1-ene (PubChem CID 134204253) has the molecular formula C7H15N3O3S and a molecular weight of 221.28 g/mol. Its IUPAC name is (3E)-2-methyl-3-[2-(sulfamoylamino)ethoxyimino]but-1-ene.

Molecular Properties

Compound Name(3E)-2-methyl-3-[2-(sulfamoylamino)ethoxyimino]but-1-ene
PubChem CID134204253
Molecular FormulaC7H15N3O3S
Molecular Weight221.28 g/mol
Exact Mass221.08
IUPAC Name(3E)-2-methyl-3-[2-(sulfamoylamino)ethoxyimino]but-1-ene
SMILESC=C(C)/C(C)=N/OCCNS(N)(=O)=O
InChIInChI=1S/C7H15N3O3S/c1-6(2)7(3)10-13-5-4-9-14(8,11)12/h9H,1,4-5H2,2-3H3,(H2,8,11,12)/b10-7+
InChIKeyFERLVUDUHYVLPP-JXMROGBWSA-N
XLogP-0.25
TPSA93.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E)-2-methyl-3-[2-(sulfamoylamino)ethoxyimino]but-1-ene?
The IUPAC name of (3E)-2-methyl-3-[2-(sulfamoylamino)ethoxyimino]but-1-ene (CID 134204253) is (3E)-2-methyl-3-[2-(sulfamoylamino)ethoxyimino]but-1-ene.
What is the SMILES notation for (3E)-2-methyl-3-[2-(sulfamoylamino)ethoxyimino]but-1-ene?
The canonical SMILES for (3E)-2-methyl-3-[2-(sulfamoylamino)ethoxyimino]but-1-ene is C=C(C)/C(C)=N/OCCNS(N)(=O)=O.
What is the InChIKey of (3E)-2-methyl-3-[2-(sulfamoylamino)ethoxyimino]but-1-ene?
The InChIKey is FERLVUDUHYVLPP-JXMROGBWSA-N. The full InChI is InChI=1S/C7H15N3O3S/c1-6(2)7(3)10-13-5-4-9-14(8,11)12/h9H,1,4-5H2,2-3H3,(H2,8,11,12)/b10-7+.
What are the key properties of (3E)-2-methyl-3-[2-(sulfamoylamino)ethoxyimino]but-1-ene?
(3E)-2-methyl-3-[2-(sulfamoylamino)ethoxyimino]but-1-ene has a molecular weight of 221.28 g/mol, XLogP of -0.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-2-methyl-3-[2-(sulfamoylamino)ethoxyimino]but-1-ene is sourced from PubChem (CID 134204253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).