N'-(ethylsulfamoyl)-2,2-difluoropropane-1,3-diamine

C5H13F2N3O2S — CID 114749722

IUPACN'-(ethylsulfamoyl)-2,2-difluoropropane-1,3-diamine
SMILESCCNS(=O)(=O)NCC(F)(F)CN
InChIInChI=1S/C5H13F2N3O2S/c1-2-9-13(11,12)10-4-5(6,7)3-8/h9-10H,2-4,8H2,1H3
InChIKeyNDHVFGDOGWQNGT-UHFFFAOYSA-N
MW217.24 g/mol
LogP-0.98
Rot. Bonds6

About N'-(ethylsulfamoyl)-2,2-difluoropropane-1,3-diamine

N'-(ethylsulfamoyl)-2,2-difluoropropane-1,3-diamine (PubChem CID 114749722) has the molecular formula C5H13F2N3O2S and a molecular weight of 217.24 g/mol. Its IUPAC name is N'-(ethylsulfamoyl)-2,2-difluoropropane-1,3-diamine.

Molecular Properties

Compound NameN'-(ethylsulfamoyl)-2,2-difluoropropane-1,3-diamine
PubChem CID114749722
Molecular FormulaC5H13F2N3O2S
Molecular Weight217.24 g/mol
Exact Mass217.07
IUPAC NameN'-(ethylsulfamoyl)-2,2-difluoropropane-1,3-diamine
SMILESCCNS(=O)(=O)NCC(F)(F)CN
InChIInChI=1S/C5H13F2N3O2S/c1-2-9-13(11,12)10-4-5(6,7)3-8/h9-10H,2-4,8H2,1H3
InChIKeyNDHVFGDOGWQNGT-UHFFFAOYSA-N
XLogP-0.98
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.24
LogP ≤ 5-0.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-1,1,1-trifluoromethanesulfonamide
CID 10998172
N-(butylsulfamoyl)-2,2,3,3,4,4,4-heptafluorobutan-1-amine
CID 22621389
N-(2,2,3,3,3-pentafluoropropylsulfamoyl)butan-1-amine
CID 22621391
N-(2,2,2-trifluoroethylsulfamoyl)butan-1-amine
CID 22621393
azane;N-butyl-1,1,1-trifluoromethanesulfonamide
CID 88214043
trifluoromethyl N-propylsulfamate
CID 91366587
N-(ethylsulfamoyl)-1,1,1-trifluoropropan-2-amine
CID 130383026
N-(3-aminopropyl)-1,1-difluoromethanesulfonamide
CID 28606997
1-Amino-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propane
CID 61456355
N'-methyl-N'-[methyl(2,2,2-trifluoroethyl)sulfamoyl]propane-1,3-diamine
CID 61456649
3-[[3-Aminopropyl(methyl)sulfamoyl]amino]-1,1,1-trifluoropropane
CID 63226678
N'-methyl-N'-[methyl(3,3,3-trifluoropropyl)sulfamoyl]propane-1,3-diamine
CID 65534653

Frequently Asked Questions

What is the IUPAC name of N'-(ethylsulfamoyl)-2,2-difluoropropane-1,3-diamine?
The IUPAC name of N'-(ethylsulfamoyl)-2,2-difluoropropane-1,3-diamine (CID 114749722) is N'-(ethylsulfamoyl)-2,2-difluoropropane-1,3-diamine.
What is the SMILES notation for N'-(ethylsulfamoyl)-2,2-difluoropropane-1,3-diamine?
The canonical SMILES for N'-(ethylsulfamoyl)-2,2-difluoropropane-1,3-diamine is CCNS(=O)(=O)NCC(F)(F)CN.
What is the InChIKey of N'-(ethylsulfamoyl)-2,2-difluoropropane-1,3-diamine?
The InChIKey is NDHVFGDOGWQNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13F2N3O2S/c1-2-9-13(11,12)10-4-5(6,7)3-8/h9-10H,2-4,8H2,1H3.
What are the key properties of N'-(ethylsulfamoyl)-2,2-difluoropropane-1,3-diamine?
N'-(ethylsulfamoyl)-2,2-difluoropropane-1,3-diamine has a molecular weight of 217.24 g/mol, XLogP of -0.98, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(ethylsulfamoyl)-2,2-difluoropropane-1,3-diamine is sourced from PubChem (CID 114749722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).