(2R)-2-amino-4-methylsulfanyl-1-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]butan-1-one

C15H26N4OS — CID 124604355

IUPAC(2R)-2-amino-4-methylsulfanyl-1-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]butan-1-one
SMILESCSCC[C@@H](N)C(=O)N1CCC[C@@H]1c1c(C)nn(C)c1C
InChIInChI=1S/C15H26N4OS/c1-10-14(11(2)18(3)17-10)13-6-5-8-19(13)15(20)12(16)7-9-21-4/h12-13H,5-9,16H2,1-4H3/t12-,13-/m1/s1
InChIKeyQJBPYKQTGHXUSR-CHWSQXEVSA-N
MW310.47 g/mol
LogP1.78
Rot. Bonds5

About (2R)-2-amino-4-methylsulfanyl-1-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]butan-1-one

(2R)-2-amino-4-methylsulfanyl-1-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]butan-1-one (PubChem CID 124604355) has the molecular formula C15H26N4OS and a molecular weight of 310.47 g/mol. Its IUPAC name is (2R)-2-amino-4-methylsulfanyl-1-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]butan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-4-methylsulfanyl-1-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]butan-1-one
PubChem CID124604355
Molecular FormulaC15H26N4OS
Molecular Weight310.47 g/mol
Exact Mass310.18
IUPAC Name(2R)-2-amino-4-methylsulfanyl-1-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]butan-1-one
SMILESCSCC[C@@H](N)C(=O)N1CCC[C@@H]1c1c(C)nn(C)c1C
InChIInChI=1S/C15H26N4OS/c1-10-14(11(2)18(3)17-10)13-6-5-8-19(13)15(20)12(16)7-9-21-4/h12-13H,5-9,16H2,1-4H3/t12-,13-/m1/s1
InChIKeyQJBPYKQTGHXUSR-CHWSQXEVSA-N
XLogP1.78
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-2-amino-4-methylsulfanyl-1-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]butan-1-one 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

(2R)-1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-amino-4-methylsulfanylbutan-1-one
CID 104908618
(2R)-2-amino-1-(2-cyclohexylpyrrolidin-1-yl)-4-methylsulfanylbutan-1-one
CID 104907803
(2R)-2-amino-1-(2,3-dimethylpiperidin-1-yl)-4-methylsulfanylbutan-1-one
CID 104908334
(2S)-1-[(2S)-2-amino-4-methylsulfanylbutanoyl]pyrrolidine-2-carboxamide
CID 54233677
(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]propan-1-one
CID 95735841
2-methyl-3-pyrazol-1-yl-1-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]propan-1-one
CID 71932937
2-(3,5-dimethylpyrazol-1-yl)-1-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 95978358
2-(2-methyl-1,3-thiazol-4-yl)-1-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 95735674
(2S)-2-amino-1-[2-(1-methylpyrrol-2-yl)azepan-1-yl]-4-methylsulfanylbutan-1-one
CID 61162936
[2-(aminomethyl)-1,3-thiazol-4-yl]-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119881311
(2S)-2-ethoxy-2-phenyl-1-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 95735802
2-(cyclopropylmethylamino)-1-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone;dihydrochloride
CID 119881299

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-4-methylsulfanyl-1-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]butan-1-one?
The IUPAC name of (2R)-2-amino-4-methylsulfanyl-1-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]butan-1-one (CID 124604355) is (2R)-2-amino-4-methylsulfanyl-1-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]butan-1-one.
What is the SMILES notation for (2R)-2-amino-4-methylsulfanyl-1-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]butan-1-one?
The canonical SMILES for (2R)-2-amino-4-methylsulfanyl-1-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]butan-1-one is CSCC[C@@H](N)C(=O)N1CCC[C@@H]1c1c(C)nn(C)c1C.
What is the InChIKey of (2R)-2-amino-4-methylsulfanyl-1-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]butan-1-one?
The InChIKey is QJBPYKQTGHXUSR-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H26N4OS/c1-10-14(11(2)18(3)17-10)13-6-5-8-19(13)15(20)12(16)7-9-21-4/h12-13H,5-9,16H2,1-4H3/t12-,13-/m1/s1.
What are the key properties of (2R)-2-amino-4-methylsulfanyl-1-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]butan-1-one?
(2R)-2-amino-4-methylsulfanyl-1-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]butan-1-one has a molecular weight of 310.47 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-4-methylsulfanyl-1-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]butan-1-one is sourced from PubChem (CID 124604355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).