1,1-difluoro-N-[3-(methylamino)propyl]methanesulfonamide

C5H12F2N2O2S — CID 43602829

IUPAC1,1-difluoro-N-[3-(methylamino)propyl]methanesulfonamide
SMILESCNCCCNS(=O)(=O)C(F)F
InChIInChI=1S/C5H12F2N2O2S/c1-8-3-2-4-9-12(10,11)5(6)7/h5,8-9H,2-4H2,1H3
InChIKeySZSHFGACGUELAG-UHFFFAOYSA-N
MW202.23 g/mol
LogP-0.26
Rot. Bonds6

About 1,1-difluoro-N-[3-(methylamino)propyl]methanesulfonamide

1,1-difluoro-N-[3-(methylamino)propyl]methanesulfonamide (PubChem CID 43602829) has the molecular formula C5H12F2N2O2S and a molecular weight of 202.23 g/mol. Its IUPAC name is 1,1-difluoro-N-[3-(methylamino)propyl]methanesulfonamide.

Molecular Properties

Compound Name1,1-difluoro-N-[3-(methylamino)propyl]methanesulfonamide
PubChem CID43602829
Molecular FormulaC5H12F2N2O2S
Molecular Weight202.23 g/mol
Exact Mass202.06
IUPAC Name1,1-difluoro-N-[3-(methylamino)propyl]methanesulfonamide
SMILESCNCCCNS(=O)(=O)C(F)F
InChIInChI=1S/C5H12F2N2O2S/c1-8-3-2-4-9-12(10,11)5(6)7/h5,8-9H,2-4H2,1H3
InChIKeySZSHFGACGUELAG-UHFFFAOYSA-N
XLogP-0.26
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(methylamino)propyl]methanesulfonamide
CID 23573809
Perfluoromethane sulfonamido propyl dimethyl amine
CID 21524814
lithium;N-propylpropan-1-amine;trifluoromethanesulfonate
CID 139039585
N-(3-aminopropyl)-N-methylmethanesulfonamide
CID 23010539
1,1,1-trifluoro-N-[3-(methylamino)propyl]methanesulfonamide
CID 43606008
1,1,1-trifluoro-N-[2-(methylamino)ethyl]methanesulfonamide
CID 62657412
1,1-difluoro-N-[2-(methylamino)ethyl]methanesulfonamide
CID 62658738
1,1,1-trifluoro-N-[3-(methylamino)propyl]methanesulfonohydrazide
CID 89307846
Dimethyl(propyl)azanium;trifluoromethanesulfonate
CID 118647264
Bis(trifluoromethylsulfonyl)azanide;methyl(propyl)azanium
CID 141159440
Bis(trifluoromethylsulfonyl)azanide;ethyl(propyl)azanium
CID 141403817
Bis(trifluoromethylsulfonyl)azanide;dimethyl(propyl)azanium
CID 141404632

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N-[3-(methylamino)propyl]methanesulfonamide?
The IUPAC name of 1,1-difluoro-N-[3-(methylamino)propyl]methanesulfonamide (CID 43602829) is 1,1-difluoro-N-[3-(methylamino)propyl]methanesulfonamide.
What is the SMILES notation for 1,1-difluoro-N-[3-(methylamino)propyl]methanesulfonamide?
The canonical SMILES for 1,1-difluoro-N-[3-(methylamino)propyl]methanesulfonamide is CNCCCNS(=O)(=O)C(F)F.
What is the InChIKey of 1,1-difluoro-N-[3-(methylamino)propyl]methanesulfonamide?
The InChIKey is SZSHFGACGUELAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12F2N2O2S/c1-8-3-2-4-9-12(10,11)5(6)7/h5,8-9H,2-4H2,1H3.
What are the key properties of 1,1-difluoro-N-[3-(methylamino)propyl]methanesulfonamide?
1,1-difluoro-N-[3-(methylamino)propyl]methanesulfonamide has a molecular weight of 202.23 g/mol, XLogP of -0.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N-[3-(methylamino)propyl]methanesulfonamide is sourced from PubChem (CID 43602829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).