4-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)butane-1-sulfonamide

C9H17F3N2O2S — CID 55010424

IUPAC4-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)butane-1-sulfonamide
SMILESNCCCCS(=O)(=O)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C9H17F3N2O2S/c10-9(11,12)7-14(8-3-4-8)17(15,16)6-2-1-5-13/h8H,1-7,13H2
InChIKeyPJZJZCBBCQLLNI-UHFFFAOYSA-N
MW274.31 g/mol
LogP1.08
Rot. Bonds7

About 4-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)butane-1-sulfonamide

4-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)butane-1-sulfonamide (PubChem CID 55010424) has the molecular formula C9H17F3N2O2S and a molecular weight of 274.31 g/mol. Its IUPAC name is 4-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)butane-1-sulfonamide.

Molecular Properties

Compound Name4-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)butane-1-sulfonamide
PubChem CID55010424
Molecular FormulaC9H17F3N2O2S
Molecular Weight274.31 g/mol
Exact Mass274.10
IUPAC Name4-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)butane-1-sulfonamide
SMILESNCCCCS(=O)(=O)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C9H17F3N2O2S/c10-9(11,12)7-14(8-3-4-8)17(15,16)6-2-1-5-13/h8H,1-7,13H2
InChIKeyPJZJZCBBCQLLNI-UHFFFAOYSA-N
XLogP1.08
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 51.08
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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Related Compounds

N-(3-aminopropyl)-N-cyclopropyl-1,1-difluoromethanesulfonamide
CID 43136990
N-methyl-3-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
CID 54972388
N-cyclopropyl-N-(2,2,2-trifluoroethyl)piperidine-3-sulfonamide
CID 55009406
N-cyclopropyl-1-piperidin-2-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide
CID 55009454
N-cyclopropyl-1-pyrrolidin-2-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide
CID 55009455
N-cyclopropyl-3-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
CID 55009456
N-cyclopropyl-N-(2,2,2-trifluoroethyl)piperidine-4-sulfonamide
CID 55009503
N-cyclopropyl-2-(ethylamino)-N-(2,2,2-trifluoroethyl)ethanesulfonamide
CID 55009504
2-(propan-2-ylamino)-N-propyl-N-(2,2,2-trifluoroethyl)ethanesulfonamide
CID 55009552
3-(propan-2-ylamino)-N-propyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
CID 55009648
2-(ethylamino)-N-propyl-N-(2,2,2-trifluoroethyl)ethanesulfonamide
CID 55009649
N-ethyl-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)ethanesulfonamide
CID 55009696

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)butane-1-sulfonamide?
The IUPAC name of 4-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)butane-1-sulfonamide (CID 55010424) is 4-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)butane-1-sulfonamide.
What is the SMILES notation for 4-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)butane-1-sulfonamide?
The canonical SMILES for 4-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)butane-1-sulfonamide is NCCCCS(=O)(=O)N(CC(F)(F)F)C1CC1.
What is the InChIKey of 4-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)butane-1-sulfonamide?
The InChIKey is PJZJZCBBCQLLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O2S/c10-9(11,12)7-14(8-3-4-8)17(15,16)6-2-1-5-13/h8H,1-7,13H2.
What are the key properties of 4-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)butane-1-sulfonamide?
4-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)butane-1-sulfonamide has a molecular weight of 274.31 g/mol, XLogP of 1.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)butane-1-sulfonamide is sourced from PubChem (CID 55010424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).