N-propan-2-yl-3-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide

C11H23F3N2O2S — CID 55009748

IUPACN-propan-2-yl-3-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
SMILESCC(C)NCCCS(=O)(=O)N(CC(F)(F)F)C(C)C
InChIInChI=1S/C11H23F3N2O2S/c1-9(2)15-6-5-7-19(17,18)16(10(3)4)8-11(12,13)14/h9-10,15H,5-8H2,1-4H3
InChIKeyBUSORDRDLNQLGB-UHFFFAOYSA-N
MW304.38 g/mol
LogP1.98
Rot. Bonds8

About N-propan-2-yl-3-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide

N-propan-2-yl-3-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide (PubChem CID 55009748) has the molecular formula C11H23F3N2O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is N-propan-2-yl-3-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-propan-2-yl-3-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
PubChem CID55009748
Molecular FormulaC11H23F3N2O2S
Molecular Weight304.38 g/mol
Exact Mass304.14
IUPAC NameN-propan-2-yl-3-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
SMILESCC(C)NCCCS(=O)(=O)N(CC(F)(F)F)C(C)C
InChIInChI=1S/C11H23F3N2O2S/c1-9(2)15-6-5-7-19(17,18)16(10(3)4)8-11(12,13)14/h9-10,15H,5-8H2,1-4H3
InChIKeyBUSORDRDLNQLGB-UHFFFAOYSA-N
XLogP1.98
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 51.98
H-Bond Donors ≤ 51
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-propan-2-yl-3-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide?
The IUPAC name of N-propan-2-yl-3-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide (CID 55009748) is N-propan-2-yl-3-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide.
What is the SMILES notation for N-propan-2-yl-3-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide?
The canonical SMILES for N-propan-2-yl-3-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide is CC(C)NCCCS(=O)(=O)N(CC(F)(F)F)C(C)C.
What is the InChIKey of N-propan-2-yl-3-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide?
The InChIKey is BUSORDRDLNQLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F3N2O2S/c1-9(2)15-6-5-7-19(17,18)16(10(3)4)8-11(12,13)14/h9-10,15H,5-8H2,1-4H3.
What are the key properties of N-propan-2-yl-3-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide?
N-propan-2-yl-3-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide has a molecular weight of 304.38 g/mol, XLogP of 1.98, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-3-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide is sourced from PubChem (CID 55009748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).