(3R)-3-[(4-cyclopropylsulfonyl-2-fluorophenyl)methyl]-1-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrrolidin-2-one

C24H31FN4O3S2 — CID 146925053

IUPAC(3R)-3-[(4-cyclopropylsulfonyl-2-fluorophenyl)methyl]-1-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrrolidin-2-one
SMILESCC(C)c1nsc(N2CCC(N3CC[C@@H](Cc4ccc(S(=O)(=O)C5CC5)cc4F)C3=O)CC2)n1
InChIInChI=1S/C24H31FN4O3S2/c1-15(2)22-26-24(33-27-22)28-10-8-18(9-11-28)29-12-7-17(23(29)30)13-16-3-4-20(14-21(16)25)34(31,32)19-5-6-19/h3-4,14-15,17-19H,5-13H2,1-2H3/t17-/m0/s1
InChIKeyADXNTIMWMWSNHE-KRWDZBQOSA-N
MW506.67 g/mol
LogP3.80
Rot. Bonds7

About (3R)-3-[(4-cyclopropylsulfonyl-2-fluorophenyl)methyl]-1-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrrolidin-2-one

(3R)-3-[(4-cyclopropylsulfonyl-2-fluorophenyl)methyl]-1-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrrolidin-2-one (PubChem CID 146925053) has the molecular formula C24H31FN4O3S2 and a molecular weight of 506.67 g/mol. Its IUPAC name is (3R)-3-[(4-cyclopropylsulfonyl-2-fluorophenyl)methyl]-1-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-3-[(4-cyclopropylsulfonyl-2-fluorophenyl)methyl]-1-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrrolidin-2-one
PubChem CID146925053
Molecular FormulaC24H31FN4O3S2
Molecular Weight506.67 g/mol
Exact Mass506.18
IUPAC Name(3R)-3-[(4-cyclopropylsulfonyl-2-fluorophenyl)methyl]-1-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrrolidin-2-one
SMILESCC(C)c1nsc(N2CCC(N3CC[C@@H](Cc4ccc(S(=O)(=O)C5CC5)cc4F)C3=O)CC2)n1
InChIInChI=1S/C24H31FN4O3S2/c1-15(2)22-26-24(33-27-22)28-10-8-18(9-11-28)29-12-7-17(23(29)30)13-16-3-4-20(14-21(16)25)34(31,32)19-5-6-19/h3-4,14-15,17-19H,5-13H2,1-2H3/t17-/m0/s1
InChIKeyADXNTIMWMWSNHE-KRWDZBQOSA-N
XLogP3.80
TPSA83.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.67
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (3R)-3-[(4-cyclopropylsulfonyl-2-fluorophenyl)methyl]-1-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrrolidin-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(4-cyclopropylsulfonyl-2-fluorophenyl)methyl]-1-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrrolidin-2-one?
The IUPAC name of (3R)-3-[(4-cyclopropylsulfonyl-2-fluorophenyl)methyl]-1-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrrolidin-2-one (CID 146925053) is (3R)-3-[(4-cyclopropylsulfonyl-2-fluorophenyl)methyl]-1-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrrolidin-2-one.
What is the SMILES notation for (3R)-3-[(4-cyclopropylsulfonyl-2-fluorophenyl)methyl]-1-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrrolidin-2-one?
The canonical SMILES for (3R)-3-[(4-cyclopropylsulfonyl-2-fluorophenyl)methyl]-1-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrrolidin-2-one is CC(C)c1nsc(N2CCC(N3CC[C@@H](Cc4ccc(S(=O)(=O)C5CC5)cc4F)C3=O)CC2)n1.
What is the InChIKey of (3R)-3-[(4-cyclopropylsulfonyl-2-fluorophenyl)methyl]-1-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrrolidin-2-one?
The InChIKey is ADXNTIMWMWSNHE-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H31FN4O3S2/c1-15(2)22-26-24(33-27-22)28-10-8-18(9-11-28)29-12-7-17(23(29)30)13-16-3-4-20(14-21(16)25)34(31,32)19-5-6-19/h3-4,14-15,17-19H,5-13H2,1-2H3/t17-/m0/s1.
What are the key properties of (3R)-3-[(4-cyclopropylsulfonyl-2-fluorophenyl)methyl]-1-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrrolidin-2-one?
(3R)-3-[(4-cyclopropylsulfonyl-2-fluorophenyl)methyl]-1-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrrolidin-2-one has a molecular weight of 506.67 g/mol, XLogP of 3.80, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(4-cyclopropylsulfonyl-2-fluorophenyl)methyl]-1-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 146925053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).