1-amino-3-(dimethylsulfamoylamino)-2,2-difluoropropane

C5H13F2N3O2S — CID 114384014

IUPAC1-amino-3-(dimethylsulfamoylamino)-2,2-difluoropropane
SMILESCN(C)S(=O)(=O)NCC(F)(F)CN
InChIInChI=1S/C5H13F2N3O2S/c1-10(2)13(11,12)9-4-5(6,7)3-8/h9H,3-4,8H2,1-2H3
InChIKeyIOWBVRDSVFELLZ-UHFFFAOYSA-N
MW217.24 g/mol
LogP-1.02
Rot. Bonds5

About 1-amino-3-(dimethylsulfamoylamino)-2,2-difluoropropane

1-amino-3-(dimethylsulfamoylamino)-2,2-difluoropropane (PubChem CID 114384014) has the molecular formula C5H13F2N3O2S and a molecular weight of 217.24 g/mol. Its IUPAC name is 1-amino-3-(dimethylsulfamoylamino)-2,2-difluoropropane.

Molecular Properties

Compound Name1-amino-3-(dimethylsulfamoylamino)-2,2-difluoropropane
PubChem CID114384014
Molecular FormulaC5H13F2N3O2S
Molecular Weight217.24 g/mol
Exact Mass217.07
IUPAC Name1-amino-3-(dimethylsulfamoylamino)-2,2-difluoropropane
SMILESCN(C)S(=O)(=O)NCC(F)(F)CN
InChIInChI=1S/C5H13F2N3O2S/c1-10(2)13(11,12)9-4-5(6,7)3-8/h9H,3-4,8H2,1-2H3
InChIKeyIOWBVRDSVFELLZ-UHFFFAOYSA-N
XLogP-1.02
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.24
LogP ≤ 5-1.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,1,1-Trifluoro-3-[methyl(sulfamoyl)amino]propane
CID 61384450
2-[[Ethyl(methyl)sulfamoyl]amino]-1,1,1-trifluoroethane
CID 88047146
2-[Ethyl(methylsulfamoyl)amino]-1,1,1-trifluoroethane
CID 88047147
3,3-difluoro-N-methylazetidine-1-sulfonamide
CID 129131115
[(2,2-Difluoropropyl)(methyl)sulfamoyl]amine
CID 164649432
N'-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]-N'-methylpropane-1,3-diamine
CID 55010325
N'-methyl-N'-[propyl(2,2,2-trifluoroethyl)sulfamoyl]propane-1,3-diamine
CID 55010519
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
N,N'-dimethyl-N'-[methyl(2,2,2-trifluoroethyl)sulfamoyl]propane-1,3-diamine
CID 65773973

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(dimethylsulfamoylamino)-2,2-difluoropropane?
The IUPAC name of 1-amino-3-(dimethylsulfamoylamino)-2,2-difluoropropane (CID 114384014) is 1-amino-3-(dimethylsulfamoylamino)-2,2-difluoropropane.
What is the SMILES notation for 1-amino-3-(dimethylsulfamoylamino)-2,2-difluoropropane?
The canonical SMILES for 1-amino-3-(dimethylsulfamoylamino)-2,2-difluoropropane is CN(C)S(=O)(=O)NCC(F)(F)CN.
What is the InChIKey of 1-amino-3-(dimethylsulfamoylamino)-2,2-difluoropropane?
The InChIKey is IOWBVRDSVFELLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13F2N3O2S/c1-10(2)13(11,12)9-4-5(6,7)3-8/h9H,3-4,8H2,1-2H3.
What are the key properties of 1-amino-3-(dimethylsulfamoylamino)-2,2-difluoropropane?
1-amino-3-(dimethylsulfamoylamino)-2,2-difluoropropane has a molecular weight of 217.24 g/mol, XLogP of -1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(dimethylsulfamoylamino)-2,2-difluoropropane is sourced from PubChem (CID 114384014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).