N-[3-(methanesulfonamido)propyl]-2-(2,2,2-trifluoroethylamino)acetamide

C8H16F3N3O3S — CID 113235201

IUPACN-[3-(methanesulfonamido)propyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCS(=O)(=O)NCCCNC(=O)CNCC(F)(F)F
InChIInChI=1S/C8H16F3N3O3S/c1-18(16,17)14-4-2-3-13-7(15)5-12-6-8(9,10)11/h12,14H,2-6H2,1H3,(H,13,15)
InChIKeyIQIPGJRUIZPKMS-UHFFFAOYSA-N
MW291.30 g/mol
LogP-0.81
Rot. Bonds8

About N-[3-(methanesulfonamido)propyl]-2-(2,2,2-trifluoroethylamino)acetamide

N-[3-(methanesulfonamido)propyl]-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 113235201) has the molecular formula C8H16F3N3O3S and a molecular weight of 291.30 g/mol. Its IUPAC name is N-[3-(methanesulfonamido)propyl]-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-[3-(methanesulfonamido)propyl]-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID113235201
Molecular FormulaC8H16F3N3O3S
Molecular Weight291.30 g/mol
Exact Mass291.09
IUPAC NameN-[3-(methanesulfonamido)propyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCS(=O)(=O)NCCCNC(=O)CNCC(F)(F)F
InChIInChI=1S/C8H16F3N3O3S/c1-18(16,17)14-4-2-3-13-7(15)5-12-6-8(9,10)11/h12,14H,2-6H2,1H3,(H,13,15)
InChIKeyIQIPGJRUIZPKMS-UHFFFAOYSA-N
XLogP-0.81
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 5-0.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-[3-(methanesulfonamido)propyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-[3-(methanesulfonamido)propyl]-2-(2,2,2-trifluoroethylamino)acetamide (CID 113235201) is N-[3-(methanesulfonamido)propyl]-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-[3-(methanesulfonamido)propyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-[3-(methanesulfonamido)propyl]-2-(2,2,2-trifluoroethylamino)acetamide is CS(=O)(=O)NCCCNC(=O)CNCC(F)(F)F.
What is the InChIKey of N-[3-(methanesulfonamido)propyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is IQIPGJRUIZPKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3N3O3S/c1-18(16,17)14-4-2-3-13-7(15)5-12-6-8(9,10)11/h12,14H,2-6H2,1H3,(H,13,15).
What are the key properties of N-[3-(methanesulfonamido)propyl]-2-(2,2,2-trifluoroethylamino)acetamide?
N-[3-(methanesulfonamido)propyl]-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 291.30 g/mol, XLogP of -0.81, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methanesulfonamido)propyl]-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 113235201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).