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

C11H20F3N3O3S — CID 63864530

IUPACN-[2-(methanesulfonamido)-2-methylpropyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCC(C)(CNC(=O)C1(C(F)(F)F)CCNC1)NS(C)(=O)=O
InChIInChI=1S/C11H20F3N3O3S/c1-9(2,17-21(3,19)20)6-16-8(18)10(11(12,13)14)4-5-15-7-10/h15,17H,4-7H2,1-3H3,(H,16,18)
InChIKeyGBHRKEWDHSGWAY-UHFFFAOYSA-N
MW331.36 g/mol
LogP-0.03
Rot. Bonds5

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

N-[2-(methanesulfonamido)-2-methylpropyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 63864530) has the molecular formula C11H20F3N3O3S and a molecular weight of 331.36 g/mol. Its IUPAC name is N-[2-(methanesulfonamido)-2-methylpropyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(methanesulfonamido)-2-methylpropyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID63864530
Molecular FormulaC11H20F3N3O3S
Molecular Weight331.36 g/mol
Exact Mass331.12
IUPAC NameN-[2-(methanesulfonamido)-2-methylpropyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCC(C)(CNC(=O)C1(C(F)(F)F)CCNC1)NS(C)(=O)=O
InChIInChI=1S/C11H20F3N3O3S/c1-9(2,17-21(3,19)20)6-16-8(18)10(11(12,13)14)4-5-15-7-10/h15,17H,4-7H2,1-3H3,(H,16,18)
InChIKeyGBHRKEWDHSGWAY-UHFFFAOYSA-N
XLogP-0.03
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.36
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(methanesulfonamido)-2-methylpropyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(methanesulfonamido)-2-methylpropyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 63864530) is N-[2-(methanesulfonamido)-2-methylpropyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(methanesulfonamido)-2-methylpropyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(methanesulfonamido)-2-methylpropyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide is CC(C)(CNC(=O)C1(C(F)(F)F)CCNC1)NS(C)(=O)=O.
What is the InChIKey of N-[2-(methanesulfonamido)-2-methylpropyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is GBHRKEWDHSGWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3O3S/c1-9(2,17-21(3,19)20)6-16-8(18)10(11(12,13)14)4-5-15-7-10/h15,17H,4-7H2,1-3H3,(H,16,18).
What are the key properties of N-[2-(methanesulfonamido)-2-methylpropyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-[2-(methanesulfonamido)-2-methylpropyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 331.36 g/mol, XLogP of -0.03, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methanesulfonamido)-2-methylpropyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63864530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).