N-(3-amino-2-methylpropyl)-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide

C10H21F3N2O2S — CID 83068236

IUPACN-(3-amino-2-methylpropyl)-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide
SMILESCCN(CC(C)CN)S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C10H21F3N2O2S/c1-3-15(8-9(2)7-14)18(16,17)6-4-5-10(11,12)13/h9H,3-8,14H2,1-2H3
InChIKeyGOQXKOSBWCCFCP-UHFFFAOYSA-N
MW290.35 g/mol
LogP1.58
Rot. Bonds8

About N-(3-amino-2-methylpropyl)-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide

N-(3-amino-2-methylpropyl)-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide (PubChem CID 83068236) has the molecular formula C10H21F3N2O2S and a molecular weight of 290.35 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide
PubChem CID83068236
Molecular FormulaC10H21F3N2O2S
Molecular Weight290.35 g/mol
Exact Mass290.13
IUPAC NameN-(3-amino-2-methylpropyl)-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide
SMILESCCN(CC(C)CN)S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C10H21F3N2O2S/c1-3-15(8-9(2)7-14)18(16,17)6-4-5-10(11,12)13/h9H,3-8,14H2,1-2H3
InChIKeyGOQXKOSBWCCFCP-UHFFFAOYSA-N
XLogP1.58
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide?
The IUPAC name of N-(3-amino-2-methylpropyl)-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide (CID 83068236) is N-(3-amino-2-methylpropyl)-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide?
The canonical SMILES for N-(3-amino-2-methylpropyl)-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide is CCN(CC(C)CN)S(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of N-(3-amino-2-methylpropyl)-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide?
The InChIKey is GOQXKOSBWCCFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F3N2O2S/c1-3-15(8-9(2)7-14)18(16,17)6-4-5-10(11,12)13/h9H,3-8,14H2,1-2H3.
What are the key properties of N-(3-amino-2-methylpropyl)-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide?
N-(3-amino-2-methylpropyl)-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide has a molecular weight of 290.35 g/mol, XLogP of 1.58, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide is sourced from PubChem (CID 83068236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).