1-cyano-N-[2-(methylsulfamoyl)ethyl]cyclobutane-1-carboxamide

C9H15N3O3S — CID 102685121

IUPAC1-cyano-N-[2-(methylsulfamoyl)ethyl]cyclobutane-1-carboxamide
SMILESCNS(=O)(=O)CCNC(=O)C1(C#N)CCC1
InChIInChI=1S/C9H15N3O3S/c1-11-16(14,15)6-5-12-8(13)9(7-10)3-2-4-9/h11H,2-6H2,1H3,(H,12,13)
InChIKeyUFWDIWZNZMSSFS-UHFFFAOYSA-N
MW245.30 g/mol
LogP-0.65
Rot. Bonds5

About 1-cyano-N-[2-(methylsulfamoyl)ethyl]cyclobutane-1-carboxamide

1-cyano-N-[2-(methylsulfamoyl)ethyl]cyclobutane-1-carboxamide (PubChem CID 102685121) has the molecular formula C9H15N3O3S and a molecular weight of 245.30 g/mol. Its IUPAC name is 1-cyano-N-[2-(methylsulfamoyl)ethyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-[2-(methylsulfamoyl)ethyl]cyclobutane-1-carboxamide
PubChem CID102685121
Molecular FormulaC9H15N3O3S
Molecular Weight245.30 g/mol
Exact Mass245.08
IUPAC Name1-cyano-N-[2-(methylsulfamoyl)ethyl]cyclobutane-1-carboxamide
SMILESCNS(=O)(=O)CCNC(=O)C1(C#N)CCC1
InChIInChI=1S/C9H15N3O3S/c1-11-16(14,15)6-5-12-8(13)9(7-10)3-2-4-9/h11H,2-6H2,1H3,(H,12,13)
InChIKeyUFWDIWZNZMSSFS-UHFFFAOYSA-N
XLogP-0.65
TPSA99.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyano-N-[2-[di(propan-2-yl)amino]ethyl]cyclobutane-1-carboxamide
CID 78994466
1-cyano-N-[2-(dimethylcarbamoylamino)ethyl]cyclobutane-1-carboxamide
CID 83109882
1-cyano-N-hexylcyclobutane-1-carboxamide
CID 78994999
1-cyano-N-(3-methoxypropyl)cyclobutane-1-carboxamide
CID 78994504
1-cyano-N-prop-2-ynylcyclobutane-1-carboxamide
CID 78994562
1-cyano-N-[3-oxo-3-(propylamino)propyl]cyclopentane-1-carboxamide
CID 47354865
1-cyano-N-(4-methoxybutyl)cyclobutane-1-carboxamide
CID 78994604
1-cyano-N-(2-pyrrolidin-1-ylethyl)cyclobutane-1-carboxamide
CID 78994411
1-cyano-N-(2-methylsulfinylethyl)cyclopentane-1-carboxamide
CID 115631260
1-cyano-N-(2-methylsulfanylethyl)cyclohexane-1-carboxamide
CID 61461120
1-cyano-N-(4-methylpentyl)cyclopentane-1-carboxamide
CID 60738598
1-cyano-N-[3-(diethylamino)propyl]cyclobutane-1-carboxamide
CID 78994350

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[2-(methylsulfamoyl)ethyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-cyano-N-[2-(methylsulfamoyl)ethyl]cyclobutane-1-carboxamide (CID 102685121) is 1-cyano-N-[2-(methylsulfamoyl)ethyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-[2-(methylsulfamoyl)ethyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-cyano-N-[2-(methylsulfamoyl)ethyl]cyclobutane-1-carboxamide is CNS(=O)(=O)CCNC(=O)C1(C#N)CCC1.
What is the InChIKey of 1-cyano-N-[2-(methylsulfamoyl)ethyl]cyclobutane-1-carboxamide?
The InChIKey is UFWDIWZNZMSSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3S/c1-11-16(14,15)6-5-12-8(13)9(7-10)3-2-4-9/h11H,2-6H2,1H3,(H,12,13).
What are the key properties of 1-cyano-N-[2-(methylsulfamoyl)ethyl]cyclobutane-1-carboxamide?
1-cyano-N-[2-(methylsulfamoyl)ethyl]cyclobutane-1-carboxamide has a molecular weight of 245.30 g/mol, XLogP of -0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[2-(methylsulfamoyl)ethyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 102685121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).