N'-(2,2-difluoroethyl)-N'-[methyl(propan-2-yl)sulfamoyl]ethane-1,2-diamine

C8H19F2N3O2S — CID 107493816

IUPACN'-(2,2-difluoroethyl)-N'-[methyl(propan-2-yl)sulfamoyl]ethane-1,2-diamine
SMILESCC(C)N(C)S(=O)(=O)N(CCN)CC(F)F
InChIInChI=1S/C8H19F2N3O2S/c1-7(2)12(3)16(14,15)13(5-4-11)6-8(9)10/h7-8H,4-6,11H2,1-3H3
InChIKeyNLWVQDUFKQIFFR-UHFFFAOYSA-N
MW259.32 g/mol
LogP0.10
Rot. Bonds7

About N'-(2,2-difluoroethyl)-N'-[methyl(propan-2-yl)sulfamoyl]ethane-1,2-diamine

N'-(2,2-difluoroethyl)-N'-[methyl(propan-2-yl)sulfamoyl]ethane-1,2-diamine (PubChem CID 107493816) has the molecular formula C8H19F2N3O2S and a molecular weight of 259.32 g/mol. Its IUPAC name is N'-(2,2-difluoroethyl)-N'-[methyl(propan-2-yl)sulfamoyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2,2-difluoroethyl)-N'-[methyl(propan-2-yl)sulfamoyl]ethane-1,2-diamine
PubChem CID107493816
Molecular FormulaC8H19F2N3O2S
Molecular Weight259.32 g/mol
Exact Mass259.12
IUPAC NameN'-(2,2-difluoroethyl)-N'-[methyl(propan-2-yl)sulfamoyl]ethane-1,2-diamine
SMILESCC(C)N(C)S(=O)(=O)N(CCN)CC(F)F
InChIInChI=1S/C8H19F2N3O2S/c1-7(2)12(3)16(14,15)13(5-4-11)6-8(9)10/h7-8H,4-6,11H2,1-3H3
InChIKeyNLWVQDUFKQIFFR-UHFFFAOYSA-N
XLogP0.10
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,1,1-trifluoro-N-[2-(propan-2-ylamino)ethyl]methanesulfonamide
CID 62665151
N-[2-[2,2-difluoroethyl(propan-2-yl)amino]ethyl]methanesulfonamide
CID 121481054
3-amino-N-(3,3-difluoropropyl)-N-methylpyrrolidine-1-sulfonamide
CID 155056242
3-[[2-Aminoethyl(ethyl)sulfamoyl]amino]-1,1-difluoropropane
CID 155056426
N'-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]-N'-methylpropane-1,3-diamine
CID 55010325
N'-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]-N'-methylpropane-1,3-diamine
CID 55010470
N'-methyl-N'-[propyl(2,2,2-trifluoroethyl)sulfamoyl]propane-1,3-diamine
CID 55010519
N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,4-diazepane-1-sulfonamide
CID 55010626
N'-methyl-N'-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]propane-1,3-diamine
CID 55010664
N-methyl-N-{2-[(3,3,3-trifluoro-1-methylpropyl)amino]ethyl}methanesulfonamide
CID 56701258
N-propan-2-yl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
CID 61252932
N-pentan-3-yl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
CID 61253719

Frequently Asked Questions

What is the IUPAC name of N'-(2,2-difluoroethyl)-N'-[methyl(propan-2-yl)sulfamoyl]ethane-1,2-diamine?
The IUPAC name of N'-(2,2-difluoroethyl)-N'-[methyl(propan-2-yl)sulfamoyl]ethane-1,2-diamine (CID 107493816) is N'-(2,2-difluoroethyl)-N'-[methyl(propan-2-yl)sulfamoyl]ethane-1,2-diamine.
What is the SMILES notation for N'-(2,2-difluoroethyl)-N'-[methyl(propan-2-yl)sulfamoyl]ethane-1,2-diamine?
The canonical SMILES for N'-(2,2-difluoroethyl)-N'-[methyl(propan-2-yl)sulfamoyl]ethane-1,2-diamine is CC(C)N(C)S(=O)(=O)N(CCN)CC(F)F.
What is the InChIKey of N'-(2,2-difluoroethyl)-N'-[methyl(propan-2-yl)sulfamoyl]ethane-1,2-diamine?
The InChIKey is NLWVQDUFKQIFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19F2N3O2S/c1-7(2)12(3)16(14,15)13(5-4-11)6-8(9)10/h7-8H,4-6,11H2,1-3H3.
What are the key properties of N'-(2,2-difluoroethyl)-N'-[methyl(propan-2-yl)sulfamoyl]ethane-1,2-diamine?
N'-(2,2-difluoroethyl)-N'-[methyl(propan-2-yl)sulfamoyl]ethane-1,2-diamine has a molecular weight of 259.32 g/mol, XLogP of 0.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2-difluoroethyl)-N'-[methyl(propan-2-yl)sulfamoyl]ethane-1,2-diamine is sourced from PubChem (CID 107493816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).