2-amino-N-[2-(methylsulfamoyl)ethyl]cycloheptane-1-carboxamide

C11H23N3O3S — CID 106336914

IUPAC2-amino-N-[2-(methylsulfamoyl)ethyl]cycloheptane-1-carboxamide
SMILESCNS(=O)(=O)CCNC(=O)C1CCCCCC1N
InChIInChI=1S/C11H23N3O3S/c1-13-18(16,17)8-7-14-11(15)9-5-3-2-4-6-10(9)12/h9-10,13H,2-8,12H2,1H3,(H,14,15)
InChIKeyPFPFXMHTEUYGIB-UHFFFAOYSA-N
MW277.39 g/mol
LogP-0.44
Rot. Bonds5

About 2-amino-N-[2-(methylsulfamoyl)ethyl]cycloheptane-1-carboxamide

2-amino-N-[2-(methylsulfamoyl)ethyl]cycloheptane-1-carboxamide (PubChem CID 106336914) has the molecular formula C11H23N3O3S and a molecular weight of 277.39 g/mol. Its IUPAC name is 2-amino-N-[2-(methylsulfamoyl)ethyl]cycloheptane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-[2-(methylsulfamoyl)ethyl]cycloheptane-1-carboxamide
PubChem CID106336914
Molecular FormulaC11H23N3O3S
Molecular Weight277.39 g/mol
Exact Mass277.15
IUPAC Name2-amino-N-[2-(methylsulfamoyl)ethyl]cycloheptane-1-carboxamide
SMILESCNS(=O)(=O)CCNC(=O)C1CCCCCC1N
InChIInChI=1S/C11H23N3O3S/c1-13-18(16,17)8-7-14-11(15)9-5-3-2-4-6-10(9)12/h9-10,13H,2-8,12H2,1H3,(H,14,15)
InChIKeyPFPFXMHTEUYGIB-UHFFFAOYSA-N
XLogP-0.44
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(methylsulfamoyl)ethyl]cycloheptane-1-carboxamide?
The IUPAC name of 2-amino-N-[2-(methylsulfamoyl)ethyl]cycloheptane-1-carboxamide (CID 106336914) is 2-amino-N-[2-(methylsulfamoyl)ethyl]cycloheptane-1-carboxamide.
What is the SMILES notation for 2-amino-N-[2-(methylsulfamoyl)ethyl]cycloheptane-1-carboxamide?
The canonical SMILES for 2-amino-N-[2-(methylsulfamoyl)ethyl]cycloheptane-1-carboxamide is CNS(=O)(=O)CCNC(=O)C1CCCCCC1N.
What is the InChIKey of 2-amino-N-[2-(methylsulfamoyl)ethyl]cycloheptane-1-carboxamide?
The InChIKey is PFPFXMHTEUYGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3S/c1-13-18(16,17)8-7-14-11(15)9-5-3-2-4-6-10(9)12/h9-10,13H,2-8,12H2,1H3,(H,14,15).
What are the key properties of 2-amino-N-[2-(methylsulfamoyl)ethyl]cycloheptane-1-carboxamide?
2-amino-N-[2-(methylsulfamoyl)ethyl]cycloheptane-1-carboxamide has a molecular weight of 277.39 g/mol, XLogP of -0.44, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(methylsulfamoyl)ethyl]cycloheptane-1-carboxamide is sourced from PubChem (CID 106336914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).