[(3S)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone

C16H25N5O3S — CID 124892507

IUPAC[(3S)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
SMILESCS(=O)(=O)N1CCC(C(=O)N2CC[C@H](n3cc(C4CC4)nn3)C2)CC1
InChIInChI=1S/C16H25N5O3S/c1-25(23,24)20-8-4-13(5-9-20)16(22)19-7-6-14(10-19)21-11-15(17-18-21)12-2-3-12/h11-14H,2-10H2,1H3/t14-/m0/s1
InChIKeyRSBSPWWGRDTKIR-AWEZNQCLSA-N
MW367.48 g/mol
LogP0.60
Rot. Bonds4

About [(3S)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone

[(3S)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone (PubChem CID 124892507) has the molecular formula C16H25N5O3S and a molecular weight of 367.48 g/mol. Its IUPAC name is [(3S)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
PubChem CID124892507
Molecular FormulaC16H25N5O3S
Molecular Weight367.48 g/mol
Exact Mass367.17
IUPAC Name[(3S)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
SMILESCS(=O)(=O)N1CCC(C(=O)N2CC[C@H](n3cc(C4CC4)nn3)C2)CC1
InChIInChI=1S/C16H25N5O3S/c1-25(23,24)20-8-4-13(5-9-20)16(22)19-7-6-14(10-19)21-11-15(17-18-21)12-2-3-12/h11-14H,2-10H2,1H3/t14-/m0/s1
InChIKeyRSBSPWWGRDTKIR-AWEZNQCLSA-N
XLogP0.60
TPSA88.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.48
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(3S)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone with MolForge

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Related Compounds

(1-methylsulfonylpiperidin-4-yl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 121149930
[(3S)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-[(3S)-oxolan-3-yl]methanone
CID 129354702
(1-methylsulfonylpiperidin-4-yl)-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]methanone
CID 91624928
3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carboxamide
CID 146082322
1-[3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carbonyl]-3-methylsulfonylimidazolidin-2-one
CID 119103978
1-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 121190579
4-cyclopropyl-1-(1-ethylsulfonylpyrrolidin-3-yl)triazole
CID 121190734
3-(4-cyclopropyltriazol-1-yl)-N,N-dimethylpyrrolidine-1-sulfonamide
CID 121190795
(1-methylpiperidin-4-yl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 121150009
N-[4-[(3S)-3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carbonyl]phenyl]acetamide
CID 124892607
3-(4-cyclopropyltriazol-1-yl)-N-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 121190717
2-cyclopentyl-1-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]ethanone
CID 121021120

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone?
The IUPAC name of [(3S)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone (CID 124892507) is [(3S)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone.
What is the SMILES notation for [(3S)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone?
The canonical SMILES for [(3S)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone is CS(=O)(=O)N1CCC(C(=O)N2CC[C@H](n3cc(C4CC4)nn3)C2)CC1.
What is the InChIKey of [(3S)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone?
The InChIKey is RSBSPWWGRDTKIR-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H25N5O3S/c1-25(23,24)20-8-4-13(5-9-20)16(22)19-7-6-14(10-19)21-11-15(17-18-21)12-2-3-12/h11-14H,2-10H2,1H3/t14-/m0/s1.
What are the key properties of [(3S)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone?
[(3S)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone has a molecular weight of 367.48 g/mol, XLogP of 0.60, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone is sourced from PubChem (CID 124892507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).