N-(3-aminopropyl)-N-cyclopropyl-1,1-difluoromethanesulfonamide

C7H14F2N2O2S — CID 43136990

IUPACN-(3-aminopropyl)-N-cyclopropyl-1,1-difluoromethanesulfonamide
SMILESNCCCN(C1CC1)S(=O)(=O)C(F)F
InChIInChI=1S/C7H14F2N2O2S/c8-7(9)14(12,13)11(5-1-4-10)6-2-3-6/h6-7H,1-5,10H2
InChIKeyYTEHUVYKKTZQKV-UHFFFAOYSA-N
MW228.26 g/mol
LogP0.35
Rot. Bonds6

About N-(3-aminopropyl)-N-cyclopropyl-1,1-difluoromethanesulfonamide

N-(3-aminopropyl)-N-cyclopropyl-1,1-difluoromethanesulfonamide (PubChem CID 43136990) has the molecular formula C7H14F2N2O2S and a molecular weight of 228.26 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-cyclopropyl-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-cyclopropyl-1,1-difluoromethanesulfonamide
PubChem CID43136990
Molecular FormulaC7H14F2N2O2S
Molecular Weight228.26 g/mol
Exact Mass228.07
IUPAC NameN-(3-aminopropyl)-N-cyclopropyl-1,1-difluoromethanesulfonamide
SMILESNCCCN(C1CC1)S(=O)(=O)C(F)F
InChIInChI=1S/C7H14F2N2O2S/c8-7(9)14(12,13)11(5-1-4-10)6-2-3-6/h6-7H,1-5,10H2
InChIKeyYTEHUVYKKTZQKV-UHFFFAOYSA-N
XLogP0.35
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-cyclopropyl-1,1-difluoromethanesulfonamide?
The IUPAC name of N-(3-aminopropyl)-N-cyclopropyl-1,1-difluoromethanesulfonamide (CID 43136990) is N-(3-aminopropyl)-N-cyclopropyl-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-N-cyclopropyl-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-(3-aminopropyl)-N-cyclopropyl-1,1-difluoromethanesulfonamide is NCCCN(C1CC1)S(=O)(=O)C(F)F.
What is the InChIKey of N-(3-aminopropyl)-N-cyclopropyl-1,1-difluoromethanesulfonamide?
The InChIKey is YTEHUVYKKTZQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F2N2O2S/c8-7(9)14(12,13)11(5-1-4-10)6-2-3-6/h6-7H,1-5,10H2.
What are the key properties of N-(3-aminopropyl)-N-cyclopropyl-1,1-difluoromethanesulfonamide?
N-(3-aminopropyl)-N-cyclopropyl-1,1-difluoromethanesulfonamide has a molecular weight of 228.26 g/mol, XLogP of 0.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-cyclopropyl-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 43136990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).