N-(cyclopropylsulfamoyl)-1-(difluoromethyl)cyclopropan-1-amine

C7H12F2N2O2S — CID 154755778

IUPACN-(cyclopropylsulfamoyl)-1-(difluoromethyl)cyclopropan-1-amine
SMILESO=S(=O)(NC1CC1)NC1(C(F)F)CC1
InChIInChI=1S/C7H12F2N2O2S/c8-6(9)7(3-4-7)11-14(12,13)10-5-1-2-5/h5-6,10-11H,1-4H2
InChIKeyDOCMAMVJQGDDDJ-UHFFFAOYSA-N
MW226.25 g/mol
LogP0.37
Rot. Bonds5

About N-(cyclopropylsulfamoyl)-1-(difluoromethyl)cyclopropan-1-amine

N-(cyclopropylsulfamoyl)-1-(difluoromethyl)cyclopropan-1-amine (PubChem CID 154755778) has the molecular formula C7H12F2N2O2S and a molecular weight of 226.25 g/mol. Its IUPAC name is N-(cyclopropylsulfamoyl)-1-(difluoromethyl)cyclopropan-1-amine.

Molecular Properties

Compound NameN-(cyclopropylsulfamoyl)-1-(difluoromethyl)cyclopropan-1-amine
PubChem CID154755778
Molecular FormulaC7H12F2N2O2S
Molecular Weight226.25 g/mol
Exact Mass226.06
IUPAC NameN-(cyclopropylsulfamoyl)-1-(difluoromethyl)cyclopropan-1-amine
SMILESO=S(=O)(NC1CC1)NC1(C(F)F)CC1
InChIInChI=1S/C7H12F2N2O2S/c8-6(9)7(3-4-7)11-14(12,13)10-5-1-2-5/h5-6,10-11H,1-4H2
InChIKeyDOCMAMVJQGDDDJ-UHFFFAOYSA-N
XLogP0.37
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylsulfamoyl)-1-(difluoromethyl)cyclopropan-1-amine?
The IUPAC name of N-(cyclopropylsulfamoyl)-1-(difluoromethyl)cyclopropan-1-amine (CID 154755778) is N-(cyclopropylsulfamoyl)-1-(difluoromethyl)cyclopropan-1-amine.
What is the SMILES notation for N-(cyclopropylsulfamoyl)-1-(difluoromethyl)cyclopropan-1-amine?
The canonical SMILES for N-(cyclopropylsulfamoyl)-1-(difluoromethyl)cyclopropan-1-amine is O=S(=O)(NC1CC1)NC1(C(F)F)CC1.
What is the InChIKey of N-(cyclopropylsulfamoyl)-1-(difluoromethyl)cyclopropan-1-amine?
The InChIKey is DOCMAMVJQGDDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2N2O2S/c8-6(9)7(3-4-7)11-14(12,13)10-5-1-2-5/h5-6,10-11H,1-4H2.
What are the key properties of N-(cyclopropylsulfamoyl)-1-(difluoromethyl)cyclopropan-1-amine?
N-(cyclopropylsulfamoyl)-1-(difluoromethyl)cyclopropan-1-amine has a molecular weight of 226.25 g/mol, XLogP of 0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylsulfamoyl)-1-(difluoromethyl)cyclopropan-1-amine is sourced from PubChem (CID 154755778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).