N-[[1-(benzenesulfonyl)piperidin-4-ylidene]amino]thiophene-2-carboxamide

C16H17N3O3S2 — CID 1489047

IUPACN-[[1-(benzenesulfonyl)piperidin-4-ylidene]amino]thiophene-2-carboxamide
SMILESO=C(NN=C1CCN(S(=O)(=O)c2ccccc2)CC1)c1cccs1
InChIInChI=1S/C16H17N3O3S2/c20-16(15-7-4-12-23-15)18-17-13-8-10-19(11-9-13)24(21,22)14-5-2-1-3-6-14/h1-7,12H,8-11H2,(H,18,20)
InChIKeyFWJSLDOMLFVPPI-UHFFFAOYSA-N
MW363.46 g/mol
LogP2.32
Rot. Bonds4

About N-[[1-(benzenesulfonyl)piperidin-4-ylidene]amino]thiophene-2-carboxamide

N-[[1-(benzenesulfonyl)piperidin-4-ylidene]amino]thiophene-2-carboxamide (PubChem CID 1489047) has the molecular formula C16H17N3O3S2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-[[1-(benzenesulfonyl)piperidin-4-ylidene]amino]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(benzenesulfonyl)piperidin-4-ylidene]amino]thiophene-2-carboxamide
PubChem CID1489047
Molecular FormulaC16H17N3O3S2
Molecular Weight363.46 g/mol
Exact Mass363.07
IUPAC NameN-[[1-(benzenesulfonyl)piperidin-4-ylidene]amino]thiophene-2-carboxamide
SMILESO=C(NN=C1CCN(S(=O)(=O)c2ccccc2)CC1)c1cccs1
InChIInChI=1S/C16H17N3O3S2/c20-16(15-7-4-12-23-15)18-17-13-8-10-19(11-9-13)24(21,22)14-5-2-1-3-6-14/h1-7,12H,8-11H2,(H,18,20)
InChIKeyFWJSLDOMLFVPPI-UHFFFAOYSA-N
XLogP2.32
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(benzenesulfonyl)piperidin-4-ylidene]amino]thiophene-2-carboxamide?
The IUPAC name of N-[[1-(benzenesulfonyl)piperidin-4-ylidene]amino]thiophene-2-carboxamide (CID 1489047) is N-[[1-(benzenesulfonyl)piperidin-4-ylidene]amino]thiophene-2-carboxamide.
What is the SMILES notation for N-[[1-(benzenesulfonyl)piperidin-4-ylidene]amino]thiophene-2-carboxamide?
The canonical SMILES for N-[[1-(benzenesulfonyl)piperidin-4-ylidene]amino]thiophene-2-carboxamide is O=C(NN=C1CCN(S(=O)(=O)c2ccccc2)CC1)c1cccs1.
What is the InChIKey of N-[[1-(benzenesulfonyl)piperidin-4-ylidene]amino]thiophene-2-carboxamide?
The InChIKey is FWJSLDOMLFVPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S2/c20-16(15-7-4-12-23-15)18-17-13-8-10-19(11-9-13)24(21,22)14-5-2-1-3-6-14/h1-7,12H,8-11H2,(H,18,20).
What are the key properties of N-[[1-(benzenesulfonyl)piperidin-4-ylidene]amino]thiophene-2-carboxamide?
N-[[1-(benzenesulfonyl)piperidin-4-ylidene]amino]thiophene-2-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(benzenesulfonyl)piperidin-4-ylidene]amino]thiophene-2-carboxamide is sourced from PubChem (CID 1489047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).