2-[2-(4-cyanophenyl)sulfonylethylamino]ethyl carbamate

C12H15N3O4S — CID 83210172

IUPAC2-[2-(4-cyanophenyl)sulfonylethylamino]ethyl carbamate
SMILESN#Cc1ccc(S(=O)(=O)CCNCCOC(N)=O)cc1
InChIInChI=1S/C12H15N3O4S/c13-9-10-1-3-11(4-2-10)20(17,18)8-6-15-5-7-19-12(14)16/h1-4,15H,5-8H2,(H2,14,16)
InChIKeyGUWVDOCQRMUUMH-UHFFFAOYSA-N
MW297.34 g/mol
LogP0.02
Rot. Bonds7

About 2-[2-(4-cyanophenyl)sulfonylethylamino]ethyl carbamate

2-[2-(4-cyanophenyl)sulfonylethylamino]ethyl carbamate (PubChem CID 83210172) has the molecular formula C12H15N3O4S and a molecular weight of 297.34 g/mol. Its IUPAC name is 2-[2-(4-cyanophenyl)sulfonylethylamino]ethyl carbamate.

Molecular Properties

Compound Name2-[2-(4-cyanophenyl)sulfonylethylamino]ethyl carbamate
PubChem CID83210172
Molecular FormulaC12H15N3O4S
Molecular Weight297.34 g/mol
Exact Mass297.08
IUPAC Name2-[2-(4-cyanophenyl)sulfonylethylamino]ethyl carbamate
SMILESN#Cc1ccc(S(=O)(=O)CCNCCOC(N)=O)cc1
InChIInChI=1S/C12H15N3O4S/c13-9-10-1-3-11(4-2-10)20(17,18)8-6-15-5-7-19-12(14)16/h1-4,15H,5-8H2,(H2,14,16)
InChIKeyGUWVDOCQRMUUMH-UHFFFAOYSA-N
XLogP0.02
TPSA122.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(4-cyanophenyl)sulfonylethylamino]-2,2-dimethylpropanamide
CID 106275947
4-[2-(pyridazin-3-ylmethylamino)ethylsulfonyl]benzonitrile
CID 106895920
4-[2-(2,3,3-trimethylbutylamino)ethylsulfonyl]benzonitrile
CID 83142179
2-[1-(4-cyanophenyl)ethylamino]ethyl carbamate
CID 83209725
2-[(4-cyanophenyl)sulfonylamino]acetamide
CID 4844985
3-[2-(2-ethoxyethylamino)ethylsulfonyl]benzonitrile
CID 115563434
4-[2-(4-bromoanilino)ethylsulfonyl]benzonitrile
CID 79497590
2-[(5-cyanothiophen-2-yl)sulfonylamino]ethyl carbamate
CID 114166352
3-[2-(2-but-3-enoxyethylamino)ethylsulfonyl]benzonitrile
CID 106401783
methyl 3-[2-(4-cyanophenyl)sulfonylethylsulfanyl]-2-methylpropanoate
CID 79612805
methyl 2-[2-(4-cyanophenyl)sulfonylethyl-methylamino]acetate
CID 79671266
4-[2-(5-methylhexan-2-ylamino)ethylsulfonyl]benzonitrile
CID 79591977

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-cyanophenyl)sulfonylethylamino]ethyl carbamate?
The IUPAC name of 2-[2-(4-cyanophenyl)sulfonylethylamino]ethyl carbamate (CID 83210172) is 2-[2-(4-cyanophenyl)sulfonylethylamino]ethyl carbamate.
What is the SMILES notation for 2-[2-(4-cyanophenyl)sulfonylethylamino]ethyl carbamate?
The canonical SMILES for 2-[2-(4-cyanophenyl)sulfonylethylamino]ethyl carbamate is N#Cc1ccc(S(=O)(=O)CCNCCOC(N)=O)cc1.
What is the InChIKey of 2-[2-(4-cyanophenyl)sulfonylethylamino]ethyl carbamate?
The InChIKey is GUWVDOCQRMUUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4S/c13-9-10-1-3-11(4-2-10)20(17,18)8-6-15-5-7-19-12(14)16/h1-4,15H,5-8H2,(H2,14,16).
What are the key properties of 2-[2-(4-cyanophenyl)sulfonylethylamino]ethyl carbamate?
2-[2-(4-cyanophenyl)sulfonylethylamino]ethyl carbamate has a molecular weight of 297.34 g/mol, XLogP of 0.02, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-cyanophenyl)sulfonylethylamino]ethyl carbamate is sourced from PubChem (CID 83210172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).