N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]pyrrolidine-1-sulfonamide

C13H17N3O3S — CID 60814440

IUPACN-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]pyrrolidine-1-sulfonamide
SMILESO=S(=O)(Nc1cccc(C#CCCO)n1)N1CCCC1
InChIInChI=1S/C13H17N3O3S/c17-11-4-1-6-12-7-5-8-13(14-12)15-20(18,19)16-9-2-3-10-16/h5,7-8,17H,2-4,9-11H2,(H,14,15)
InChIKeyJWGHKFNRIDRCPS-UHFFFAOYSA-N
MW295.36 g/mol
LogP0.57
Rot. Bonds4

About N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]pyrrolidine-1-sulfonamide

N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]pyrrolidine-1-sulfonamide (PubChem CID 60814440) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]pyrrolidine-1-sulfonamide
PubChem CID60814440
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC NameN-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]pyrrolidine-1-sulfonamide
SMILESO=S(=O)(Nc1cccc(C#CCCO)n1)N1CCCC1
InChIInChI=1S/C13H17N3O3S/c17-11-4-1-6-12-7-5-8-13(14-12)15-20(18,19)16-9-2-3-10-16/h5,7-8,17H,2-4,9-11H2,(H,14,15)
InChIKeyJWGHKFNRIDRCPS-UHFFFAOYSA-N
XLogP0.57
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]piperidine-1-carboxamide
CID 79155648
N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]azepane-1-carboxamide
CID 79157673
N-(6-bromo-2-pyridinyl)azepane-1-sulfonamide
CID 43520623
N-(6-chloro-2-pyridinyl)piperidine-1-sulfonamide
CID 104821271
3-[6-(propan-2-ylsulfamoylamino)-2-pyridinyl]prop-2-yn-1-ol
CID 114811711
1-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]-3-propan-2-ylurea
CID 60812722
N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-1-methylsulfonylmethanesulfonamide
CID 82842780
1-cyclopropyl-3-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]urea
CID 62699691
N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]-1-methylcyclohexane-1-carboxamide
CID 106828195
N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]azepane-1-carboxamide
CID 79152659
3-[6-(pyrrolidin-1-ylsulfonylamino)-2-pyridinyl]prop-2-enoic acid
CID 76906299
N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 60803894

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]pyrrolidine-1-sulfonamide?
The IUPAC name of N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]pyrrolidine-1-sulfonamide (CID 60814440) is N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]pyrrolidine-1-sulfonamide?
The canonical SMILES for N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]pyrrolidine-1-sulfonamide is O=S(=O)(Nc1cccc(C#CCCO)n1)N1CCCC1.
What is the InChIKey of N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]pyrrolidine-1-sulfonamide?
The InChIKey is JWGHKFNRIDRCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c17-11-4-1-6-12-7-5-8-13(14-12)15-20(18,19)16-9-2-3-10-16/h5,7-8,17H,2-4,9-11H2,(H,14,15).
What are the key properties of N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]pyrrolidine-1-sulfonamide?
N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]pyrrolidine-1-sulfonamide has a molecular weight of 295.36 g/mol, XLogP of 0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]pyrrolidine-1-sulfonamide is sourced from PubChem (CID 60814440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).