(3S,4S)-1-[2-(ethylsulfonylamino)ethyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide

C10H18F3N3O3S — CID 120950575

IUPAC(3S,4S)-1-[2-(ethylsulfonylamino)ethyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCCS(=O)(=O)NCCN1C[C@@H](C(F)(F)F)[C@H](C(N)=O)C1
InChIInChI=1S/C10H18F3N3O3S/c1-2-20(18,19)15-3-4-16-5-7(9(14)17)8(6-16)10(11,12)13/h7-8,15H,2-6H2,1H3,(H2,14,17)/t7-,8-/m1/s1
InChIKeyYWCAZCCAVCCICZ-HTQZYQBOSA-N
MW317.33 g/mol
LogP-0.48
Rot. Bonds6

About (3S,4S)-1-[2-(ethylsulfonylamino)ethyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide

(3S,4S)-1-[2-(ethylsulfonylamino)ethyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 120950575) has the molecular formula C10H18F3N3O3S and a molecular weight of 317.33 g/mol. Its IUPAC name is (3S,4S)-1-[2-(ethylsulfonylamino)ethyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-1-[2-(ethylsulfonylamino)ethyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID120950575
Molecular FormulaC10H18F3N3O3S
Molecular Weight317.33 g/mol
Exact Mass317.10
IUPAC Name(3S,4S)-1-[2-(ethylsulfonylamino)ethyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCCS(=O)(=O)NCCN1C[C@@H](C(F)(F)F)[C@H](C(N)=O)C1
InChIInChI=1S/C10H18F3N3O3S/c1-2-20(18,19)15-3-4-16-5-7(9(14)17)8(6-16)10(11,12)13/h7-8,15H,2-6H2,1H3,(H2,14,17)/t7-,8-/m1/s1
InChIKeyYWCAZCCAVCCICZ-HTQZYQBOSA-N
XLogP-0.48
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.33
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3S,4S)-1-[2-(ethylsulfonylamino)ethyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 128585607
CID 128585607
CID 164633683
CID 164633683
CID 175836971
CID 175836971
CID 45200775
CID 45200775
CID 103306790
CID 103306790
CID 103307806
CID 103307806
CID 106336601
CID 106336601
CID 106336982
CID 106336982
CID 106337218
CID 106337218
CID 113800883
CID 113800883
CID 120913801
CID 120913801
CID 120913802
CID 120913802

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-[2-(ethylsulfonylamino)ethyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S,4S)-1-[2-(ethylsulfonylamino)ethyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 120950575) is (3S,4S)-1-[2-(ethylsulfonylamino)ethyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-1-[2-(ethylsulfonylamino)ethyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4S)-1-[2-(ethylsulfonylamino)ethyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide is CCS(=O)(=O)NCCN1C[C@@H](C(F)(F)F)[C@H](C(N)=O)C1.
What is the InChIKey of (3S,4S)-1-[2-(ethylsulfonylamino)ethyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is YWCAZCCAVCCICZ-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H18F3N3O3S/c1-2-20(18,19)15-3-4-16-5-7(9(14)17)8(6-16)10(11,12)13/h7-8,15H,2-6H2,1H3,(H2,14,17)/t7-,8-/m1/s1.
What are the key properties of (3S,4S)-1-[2-(ethylsulfonylamino)ethyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide?
(3S,4S)-1-[2-(ethylsulfonylamino)ethyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 317.33 g/mol, XLogP of -0.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-[2-(ethylsulfonylamino)ethyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 120950575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).