N-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]pyridine-3-sulfonamide

C12H14N2O3S2 — CID 99981312

IUPACN-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]pyridine-3-sulfonamide
SMILESO=S(=O)(NCC[C@H](O)c1ccsc1)c1cccnc1
InChIInChI=1S/C12H14N2O3S2/c15-12(10-4-7-18-9-10)3-6-14-19(16,17)11-2-1-5-13-8-11/h1-2,4-5,7-9,12,14-15H,3,6H2/t12-/m0/s1
InChIKeyRMOPUHBZMDRYLX-LBPRGKRZSA-N
MW298.39 g/mol
LogP1.55
Rot. Bonds6

About N-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]pyridine-3-sulfonamide

N-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]pyridine-3-sulfonamide (PubChem CID 99981312) has the molecular formula C12H14N2O3S2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]pyridine-3-sulfonamide
PubChem CID99981312
Molecular FormulaC12H14N2O3S2
Molecular Weight298.39 g/mol
Exact Mass298.04
IUPAC NameN-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]pyridine-3-sulfonamide
SMILESO=S(=O)(NCC[C@H](O)c1ccsc1)c1cccnc1
InChIInChI=1S/C12H14N2O3S2/c15-12(10-4-7-18-9-10)3-6-14-19(16,17)11-2-1-5-13-8-11/h1-2,4-5,7-9,12,14-15H,3,6H2/t12-/m0/s1
InChIKeyRMOPUHBZMDRYLX-LBPRGKRZSA-N
XLogP1.55
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]pyridine-3-sulfonamide?
The IUPAC name of N-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]pyridine-3-sulfonamide (CID 99981312) is N-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]pyridine-3-sulfonamide?
The canonical SMILES for N-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]pyridine-3-sulfonamide is O=S(=O)(NCC[C@H](O)c1ccsc1)c1cccnc1.
What is the InChIKey of N-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]pyridine-3-sulfonamide?
The InChIKey is RMOPUHBZMDRYLX-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H14N2O3S2/c15-12(10-4-7-18-9-10)3-6-14-19(16,17)11-2-1-5-13-8-11/h1-2,4-5,7-9,12,14-15H,3,6H2/t12-/m0/s1.
What are the key properties of N-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]pyridine-3-sulfonamide?
N-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]pyridine-3-sulfonamide has a molecular weight of 298.39 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]pyridine-3-sulfonamide is sourced from PubChem (CID 99981312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).