N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C11H19F3N2O2S — CID 106161551

IUPACN-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCSC(CO)C(C)NC(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C11H19F3N2O2S/c1-7(8(5-17)19-2)16-9(18)10(11(12,13)14)3-4-15-6-10/h7-8,15,17H,3-6H2,1-2H3,(H,16,18)
InChIKeyGQNFUBSSLCRGNP-UHFFFAOYSA-N
MW300.35 g/mol
LogP0.76
Rot. Bonds5

About N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 106161551) has the molecular formula C11H19F3N2O2S and a molecular weight of 300.35 g/mol. Its IUPAC name is N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID106161551
Molecular FormulaC11H19F3N2O2S
Molecular Weight300.35 g/mol
Exact Mass300.11
IUPAC NameN-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCSC(CO)C(C)NC(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C11H19F3N2O2S/c1-7(8(5-17)19-2)16-9(18)10(11(12,13)14)3-4-15-6-10/h7-8,15,17H,3-6H2,1-2H3,(H,16,18)
InChIKeyGQNFUBSSLCRGNP-UHFFFAOYSA-N
XLogP0.76
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4-methylpiperidine-4-carboxamide
CID 106161649
(2R)-3-hydroxy-2-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]propanoic acid
CID 80749492
N-[1-(dimethylamino)propan-2-yl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 82945350
N-(4-hydroxypentan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 113376269
N-(4-methoxybutan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 64605661
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methylpyrrolidine-2-carboxamide;hydrochloride
CID 110012111
1-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)cyclohexane-1-carboxamide
CID 106161442
N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 79362855
N-[2-(dimethylamino)propyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63710060
N-(3-methylsulfanylpropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63958651
N-(2,2-difluoroethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 115406927
3-(trifluoromethyl)pyrrolidine-3-carbohydrazide
CID 63992790

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 106161551) is N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is CSC(CO)C(C)NC(=O)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is GQNFUBSSLCRGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2S/c1-7(8(5-17)19-2)16-9(18)10(11(12,13)14)3-4-15-6-10/h7-8,15,17H,3-6H2,1-2H3,(H,16,18).
What are the key properties of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 300.35 g/mol, XLogP of 0.76, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 106161551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).