N-[3-(cyclopropylamino)propyl]-1,1-difluoromethanesulfonamide

C7H14F2N2O2S — CID 43598733

IUPACN-[3-(cyclopropylamino)propyl]-1,1-difluoromethanesulfonamide
SMILESO=S(=O)(NCCCNC1CC1)C(F)F
InChIInChI=1S/C7H14F2N2O2S/c8-7(9)14(12,13)11-5-1-4-10-6-2-3-6/h6-7,10-11H,1-5H2
InChIKeyNKOJDNFTDSWGRS-UHFFFAOYSA-N
MW228.26 g/mol
LogP0.27
Rot. Bonds7

About N-[3-(cyclopropylamino)propyl]-1,1-difluoromethanesulfonamide

N-[3-(cyclopropylamino)propyl]-1,1-difluoromethanesulfonamide (PubChem CID 43598733) has the molecular formula C7H14F2N2O2S and a molecular weight of 228.26 g/mol. Its IUPAC name is N-[3-(cyclopropylamino)propyl]-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-[3-(cyclopropylamino)propyl]-1,1-difluoromethanesulfonamide
PubChem CID43598733
Molecular FormulaC7H14F2N2O2S
Molecular Weight228.26 g/mol
Exact Mass228.07
IUPAC NameN-[3-(cyclopropylamino)propyl]-1,1-difluoromethanesulfonamide
SMILESO=S(=O)(NCCCNC1CC1)C(F)F
InChIInChI=1S/C7H14F2N2O2S/c8-7(9)14(12,13)11-5-1-4-10-6-2-3-6/h6-7,10-11H,1-5H2
InChIKeyNKOJDNFTDSWGRS-UHFFFAOYSA-N
XLogP0.27
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 50.27
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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Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylamino)propyl]-1,1-difluoromethanesulfonamide?
The IUPAC name of N-[3-(cyclopropylamino)propyl]-1,1-difluoromethanesulfonamide (CID 43598733) is N-[3-(cyclopropylamino)propyl]-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-[3-(cyclopropylamino)propyl]-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-[3-(cyclopropylamino)propyl]-1,1-difluoromethanesulfonamide is O=S(=O)(NCCCNC1CC1)C(F)F.
What is the InChIKey of N-[3-(cyclopropylamino)propyl]-1,1-difluoromethanesulfonamide?
The InChIKey is NKOJDNFTDSWGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F2N2O2S/c8-7(9)14(12,13)11-5-1-4-10-6-2-3-6/h6-7,10-11H,1-5H2.
What are the key properties of N-[3-(cyclopropylamino)propyl]-1,1-difluoromethanesulfonamide?
N-[3-(cyclopropylamino)propyl]-1,1-difluoromethanesulfonamide has a molecular weight of 228.26 g/mol, XLogP of 0.27, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylamino)propyl]-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 43598733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).