N'-(4-methoxypyrimidin-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carbohydrazide

C15H19N5O4S2 — CID 55619808

IUPACN'-(4-methoxypyrimidin-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carbohydrazide
SMILESCOc1ccnc(NNC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)n1
InChIInChI=1S/C15H19N5O4S2/c1-24-12-4-7-16-15(17-12)19-18-14(21)11-5-8-20(9-6-11)26(22,23)13-3-2-10-25-13/h2-4,7,10-11H,5-6,8-9H2,1H3,(H,18,21)(H,16,17,19)
InChIKeyLOHKLHXKUKEKMM-UHFFFAOYSA-N
MW397.48 g/mol
LogP1.09
Rot. Bonds6

About N'-(4-methoxypyrimidin-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carbohydrazide

N'-(4-methoxypyrimidin-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carbohydrazide (PubChem CID 55619808) has the molecular formula C15H19N5O4S2 and a molecular weight of 397.48 g/mol. Its IUPAC name is N'-(4-methoxypyrimidin-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carbohydrazide.

Molecular Properties

Compound NameN'-(4-methoxypyrimidin-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carbohydrazide
PubChem CID55619808
Molecular FormulaC15H19N5O4S2
Molecular Weight397.48 g/mol
Exact Mass397.09
IUPAC NameN'-(4-methoxypyrimidin-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carbohydrazide
SMILESCOc1ccnc(NNC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)n1
InChIInChI=1S/C15H19N5O4S2/c1-24-12-4-7-16-15(17-12)19-18-14(21)11-5-8-20(9-6-11)26(22,23)13-3-2-10-25-13/h2-4,7,10-11H,5-6,8-9H2,1H3,(H,18,21)(H,16,17,19)
InChIKeyLOHKLHXKUKEKMM-UHFFFAOYSA-N
XLogP1.09
TPSA113.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-methyl-2-pyridinyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 2315676
N-tert-butyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 7914403
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 16830561
N-(3,5-dimethoxyphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 7960898
N-(2-methyl-1-thiophen-2-ylpropyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 17462186
N-(1,3-thiazol-4-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 46385752
N-[(2S)-3-methylbutan-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 27511485
1-thiophen-2-ylsulfonyl-N-(2,4,4-trimethylpentan-2-yl)piperidine-4-carboxamide
CID 51188882
N-[cyclopropyl-(4-methoxyphenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 55460831
N'-(furan-2-carbonyl)-1-thiophen-2-ylsulfonylpiperidine-4-carbohydrazide
CID 9477271
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 38010763
N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 41397830

Frequently Asked Questions

What is the IUPAC name of N'-(4-methoxypyrimidin-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carbohydrazide?
The IUPAC name of N'-(4-methoxypyrimidin-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carbohydrazide (CID 55619808) is N'-(4-methoxypyrimidin-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carbohydrazide.
What is the SMILES notation for N'-(4-methoxypyrimidin-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carbohydrazide?
The canonical SMILES for N'-(4-methoxypyrimidin-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carbohydrazide is COc1ccnc(NNC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)n1.
What is the InChIKey of N'-(4-methoxypyrimidin-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carbohydrazide?
The InChIKey is LOHKLHXKUKEKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O4S2/c1-24-12-4-7-16-15(17-12)19-18-14(21)11-5-8-20(9-6-11)26(22,23)13-3-2-10-25-13/h2-4,7,10-11H,5-6,8-9H2,1H3,(H,18,21)(H,16,17,19).
What are the key properties of N'-(4-methoxypyrimidin-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carbohydrazide?
N'-(4-methoxypyrimidin-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carbohydrazide has a molecular weight of 397.48 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methoxypyrimidin-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carbohydrazide is sourced from PubChem (CID 55619808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).