1-methylsulfonyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]piperidine-4-carboxamide

C15H24N4O3S2 — CID 71810019

IUPAC1-methylsulfonyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]piperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)NC2CCN(c3nccs3)CC2)CC1
InChIInChI=1S/C15H24N4O3S2/c1-24(21,22)19-9-2-12(3-10-19)14(20)17-13-4-7-18(8-5-13)15-16-6-11-23-15/h6,11-13H,2-5,7-10H2,1H3,(H,17,20)
InChIKeyFMOGBZCNZAVHBM-UHFFFAOYSA-N
MW372.52 g/mol
LogP0.90
Rot. Bonds4

About 1-methylsulfonyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]piperidine-4-carboxamide

1-methylsulfonyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]piperidine-4-carboxamide (PubChem CID 71810019) has the molecular formula C15H24N4O3S2 and a molecular weight of 372.52 g/mol. Its IUPAC name is 1-methylsulfonyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-methylsulfonyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]piperidine-4-carboxamide
PubChem CID71810019
Molecular FormulaC15H24N4O3S2
Molecular Weight372.52 g/mol
Exact Mass372.13
IUPAC Name1-methylsulfonyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]piperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)NC2CCN(c3nccs3)CC2)CC1
InChIInChI=1S/C15H24N4O3S2/c1-24(21,22)19-9-2-12(3-10-19)14(20)17-13-4-7-18(8-5-13)15-16-6-11-23-15/h6,11-13H,2-5,7-10H2,1H3,(H,17,20)
InChIKeyFMOGBZCNZAVHBM-UHFFFAOYSA-N
XLogP0.90
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.52
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of 1-methylsulfonyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]piperidine-4-carboxamide (CID 71810019) is 1-methylsulfonyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-methylsulfonyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-methylsulfonyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]piperidine-4-carboxamide is CS(=O)(=O)N1CCC(C(=O)NC2CCN(c3nccs3)CC2)CC1.
What is the InChIKey of 1-methylsulfonyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]piperidine-4-carboxamide?
The InChIKey is FMOGBZCNZAVHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3S2/c1-24(21,22)19-9-2-12(3-10-19)14(20)17-13-4-7-18(8-5-13)15-16-6-11-23-15/h6,11-13H,2-5,7-10H2,1H3,(H,17,20).
What are the key properties of 1-methylsulfonyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]piperidine-4-carboxamide?
1-methylsulfonyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]piperidine-4-carboxamide has a molecular weight of 372.52 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 71810019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).