N-[2-(methanesulfonamido)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C9H16F3N3O3S — CID 55227453

IUPACN-[2-(methanesulfonamido)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCS(=O)(=O)NCCNC(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C9H16F3N3O3S/c1-19(17,18)15-5-4-14-7(16)8(9(10,11)12)2-3-13-6-8/h13,15H,2-6H2,1H3,(H,14,16)
InChIKeyKLSUDQPNLOOBDA-UHFFFAOYSA-N
MW303.31 g/mol
LogP-0.81
Rot. Bonds5

About N-[2-(methanesulfonamido)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-[2-(methanesulfonamido)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 55227453) has the molecular formula C9H16F3N3O3S and a molecular weight of 303.31 g/mol. Its IUPAC name is N-[2-(methanesulfonamido)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(methanesulfonamido)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID55227453
Molecular FormulaC9H16F3N3O3S
Molecular Weight303.31 g/mol
Exact Mass303.09
IUPAC NameN-[2-(methanesulfonamido)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCS(=O)(=O)NCCNC(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C9H16F3N3O3S/c1-19(17,18)15-5-4-14-7(16)8(9(10,11)12)2-3-13-6-8/h13,15H,2-6H2,1H3,(H,14,16)
InChIKeyKLSUDQPNLOOBDA-UHFFFAOYSA-N
XLogP-0.81
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
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-[2-(methanesulfonamido)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(methanesulfonamido)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 55227453) is N-[2-(methanesulfonamido)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(methanesulfonamido)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(methanesulfonamido)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide is CS(=O)(=O)NCCNC(=O)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N-[2-(methanesulfonamido)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is KLSUDQPNLOOBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N3O3S/c1-19(17,18)15-5-4-14-7(16)8(9(10,11)12)2-3-13-6-8/h13,15H,2-6H2,1H3,(H,14,16).
What are the key properties of N-[2-(methanesulfonamido)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-[2-(methanesulfonamido)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 303.31 g/mol, XLogP of -0.81, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methanesulfonamido)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 55227453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).