N-[[2-(1-ethylsulfonylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide

C15H23N3O3S2 — CID 71842009

IUPACN-[[2-(1-ethylsulfonylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide
SMILESCCS(=O)(=O)N1CCCC(c2nc(CNC(=O)C3CC3)cs2)C1
InChIInChI=1S/C15H23N3O3S2/c1-2-23(20,21)18-7-3-4-12(9-18)15-17-13(10-22-15)8-16-14(19)11-5-6-11/h10-12H,2-9H2,1H3,(H,16,19)
InChIKeyGNBHTDILDBDKGW-UHFFFAOYSA-N
MW357.50 g/mol
LogP1.70
Rot. Bonds6

About N-[[2-(1-ethylsulfonylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide

N-[[2-(1-ethylsulfonylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide (PubChem CID 71842009) has the molecular formula C15H23N3O3S2 and a molecular weight of 357.50 g/mol. Its IUPAC name is N-[[2-(1-ethylsulfonylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[2-(1-ethylsulfonylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide
PubChem CID71842009
Molecular FormulaC15H23N3O3S2
Molecular Weight357.50 g/mol
Exact Mass357.12
IUPAC NameN-[[2-(1-ethylsulfonylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide
SMILESCCS(=O)(=O)N1CCCC(c2nc(CNC(=O)C3CC3)cs2)C1
InChIInChI=1S/C15H23N3O3S2/c1-2-23(20,21)18-7-3-4-12(9-18)15-17-13(10-22-15)8-16-14(19)11-5-6-11/h10-12H,2-9H2,1H3,(H,16,19)
InChIKeyGNBHTDILDBDKGW-UHFFFAOYSA-N
XLogP1.70
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-ethylsulfonylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-[[2-(1-ethylsulfonylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide (CID 71842009) is N-[[2-(1-ethylsulfonylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[[2-(1-ethylsulfonylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[[2-(1-ethylsulfonylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide is CCS(=O)(=O)N1CCCC(c2nc(CNC(=O)C3CC3)cs2)C1.
What is the InChIKey of N-[[2-(1-ethylsulfonylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide?
The InChIKey is GNBHTDILDBDKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S2/c1-2-23(20,21)18-7-3-4-12(9-18)15-17-13(10-22-15)8-16-14(19)11-5-6-11/h10-12H,2-9H2,1H3,(H,16,19).
What are the key properties of N-[[2-(1-ethylsulfonylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide?
N-[[2-(1-ethylsulfonylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide has a molecular weight of 357.50 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-ethylsulfonylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 71842009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).