N-(2-aminoethyl)-N-butyl-1,1-difluoromethanesulfonamide

C7H16F2N2O2S — CID 63765226

IUPACN-(2-aminoethyl)-N-butyl-1,1-difluoromethanesulfonamide
SMILESCCCCN(CCN)S(=O)(=O)C(F)F
InChIInChI=1S/C7H16F2N2O2S/c1-2-3-5-11(6-4-10)14(12,13)7(8)9/h7H,2-6,10H2,1H3
InChIKeyQPHZHPRCRCGOLM-UHFFFAOYSA-N
MW230.28 g/mol
LogP0.60
Rot. Bonds7

About N-(2-aminoethyl)-N-butyl-1,1-difluoromethanesulfonamide

N-(2-aminoethyl)-N-butyl-1,1-difluoromethanesulfonamide (PubChem CID 63765226) has the molecular formula C7H16F2N2O2S and a molecular weight of 230.28 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-butyl-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-butyl-1,1-difluoromethanesulfonamide
PubChem CID63765226
Molecular FormulaC7H16F2N2O2S
Molecular Weight230.28 g/mol
Exact Mass230.09
IUPAC NameN-(2-aminoethyl)-N-butyl-1,1-difluoromethanesulfonamide
SMILESCCCCN(CCN)S(=O)(=O)C(F)F
InChIInChI=1S/C7H16F2N2O2S/c1-2-3-5-11(6-4-10)14(12,13)7(8)9/h7H,2-6,10H2,1H3
InChIKeyQPHZHPRCRCGOLM-UHFFFAOYSA-N
XLogP0.60
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.28
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-butyl-1,1-difluoromethanesulfonamide?
The IUPAC name of N-(2-aminoethyl)-N-butyl-1,1-difluoromethanesulfonamide (CID 63765226) is N-(2-aminoethyl)-N-butyl-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-N-butyl-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-(2-aminoethyl)-N-butyl-1,1-difluoromethanesulfonamide is CCCCN(CCN)S(=O)(=O)C(F)F.
What is the InChIKey of N-(2-aminoethyl)-N-butyl-1,1-difluoromethanesulfonamide?
The InChIKey is QPHZHPRCRCGOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16F2N2O2S/c1-2-3-5-11(6-4-10)14(12,13)7(8)9/h7H,2-6,10H2,1H3.
What are the key properties of N-(2-aminoethyl)-N-butyl-1,1-difluoromethanesulfonamide?
N-(2-aminoethyl)-N-butyl-1,1-difluoromethanesulfonamide has a molecular weight of 230.28 g/mol, XLogP of 0.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-butyl-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 63765226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).