N-[3-(cyclopentylamino)propyl]-1,1,1-trifluoromethanesulfonamide

C9H17F3N2O2S — CID 18349082

IUPACN-[3-(cyclopentylamino)propyl]-1,1,1-trifluoromethanesulfonamide
SMILESO=S(=O)(NCCCNC1CCCC1)C(F)(F)F
InChIInChI=1S/C9H17F3N2O2S/c10-9(11,12)17(15,16)14-7-3-6-13-8-4-1-2-5-8/h8,13-14H,1-7H2
InChIKeyHICDANZFJZPWTB-UHFFFAOYSA-N
MW274.31 g/mol
LogP1.35
Rot. Bonds6

About N-[3-(cyclopentylamino)propyl]-1,1,1-trifluoromethanesulfonamide

N-[3-(cyclopentylamino)propyl]-1,1,1-trifluoromethanesulfonamide (PubChem CID 18349082) has the molecular formula C9H17F3N2O2S and a molecular weight of 274.31 g/mol. Its IUPAC name is N-[3-(cyclopentylamino)propyl]-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-[3-(cyclopentylamino)propyl]-1,1,1-trifluoromethanesulfonamide
PubChem CID18349082
Molecular FormulaC9H17F3N2O2S
Molecular Weight274.31 g/mol
Exact Mass274.10
IUPAC NameN-[3-(cyclopentylamino)propyl]-1,1,1-trifluoromethanesulfonamide
SMILESO=S(=O)(NCCCNC1CCCC1)C(F)(F)F
InChIInChI=1S/C9H17F3N2O2S/c10-9(11,12)17(15,16)14-7-3-6-13-8-4-1-2-5-8/h8,13-14H,1-7H2
InChIKeyHICDANZFJZPWTB-UHFFFAOYSA-N
XLogP1.35
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 51.35
H-Bond Donors ≤ 52
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-[3-(cyclopentylamino)propyl]-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-[3-(cyclopentylamino)propyl]-1,1,1-trifluoromethanesulfonamide (CID 18349082) is N-[3-(cyclopentylamino)propyl]-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-[3-(cyclopentylamino)propyl]-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-[3-(cyclopentylamino)propyl]-1,1,1-trifluoromethanesulfonamide is O=S(=O)(NCCCNC1CCCC1)C(F)(F)F.
What is the InChIKey of N-[3-(cyclopentylamino)propyl]-1,1,1-trifluoromethanesulfonamide?
The InChIKey is HICDANZFJZPWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O2S/c10-9(11,12)17(15,16)14-7-3-6-13-8-4-1-2-5-8/h8,13-14H,1-7H2.
What are the key properties of N-[3-(cyclopentylamino)propyl]-1,1,1-trifluoromethanesulfonamide?
N-[3-(cyclopentylamino)propyl]-1,1,1-trifluoromethanesulfonamide has a molecular weight of 274.31 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopentylamino)propyl]-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 18349082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).