2-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]thiophene-3-sulfonamide

C16H19N3O4S2 — CID 56749707

IUPAC2-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]thiophene-3-sulfonamide
SMILESCc1ccc(C2(O)CCN(C(=O)c3sccc3S(N)(=O)=O)CC2)nc1
InChIInChI=1S/C16H19N3O4S2/c1-11-2-3-13(18-10-11)16(21)5-7-19(8-6-16)15(20)14-12(4-9-24-14)25(17,22)23/h2-4,9-10,21H,5-8H2,1H3,(H2,17,22,23)
InChIKeyDTGDOPXBXAHBDK-UHFFFAOYSA-N
MW381.48 g/mol
LogP1.22
Rot. Bonds3

About 2-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]thiophene-3-sulfonamide

2-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]thiophene-3-sulfonamide (PubChem CID 56749707) has the molecular formula C16H19N3O4S2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 2-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]thiophene-3-sulfonamide
PubChem CID56749707
Molecular FormulaC16H19N3O4S2
Molecular Weight381.48 g/mol
Exact Mass381.08
IUPAC Name2-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]thiophene-3-sulfonamide
SMILESCc1ccc(C2(O)CCN(C(=O)c3sccc3S(N)(=O)=O)CC2)nc1
InChIInChI=1S/C16H19N3O4S2/c1-11-2-3-13(18-10-11)16(21)5-7-19(8-6-16)15(20)14-12(4-9-24-14)25(17,22)23/h2-4,9-10,21H,5-8H2,1H3,(H2,17,22,23)
InChIKeyDTGDOPXBXAHBDK-UHFFFAOYSA-N
XLogP1.22
TPSA113.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]thiophene-3-sulfonamide?
The IUPAC name of 2-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]thiophene-3-sulfonamide (CID 56749707) is 2-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]thiophene-3-sulfonamide.
What is the SMILES notation for 2-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]thiophene-3-sulfonamide?
The canonical SMILES for 2-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]thiophene-3-sulfonamide is Cc1ccc(C2(O)CCN(C(=O)c3sccc3S(N)(=O)=O)CC2)nc1.
What is the InChIKey of 2-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]thiophene-3-sulfonamide?
The InChIKey is DTGDOPXBXAHBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S2/c1-11-2-3-13(18-10-11)16(21)5-7-19(8-6-16)15(20)14-12(4-9-24-14)25(17,22)23/h2-4,9-10,21H,5-8H2,1H3,(H2,17,22,23).
What are the key properties of 2-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]thiophene-3-sulfonamide?
2-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]thiophene-3-sulfonamide has a molecular weight of 381.48 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]thiophene-3-sulfonamide is sourced from PubChem (CID 56749707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).