N-[(2-methylthiolan-2-yl)methyl]-6-(propylamino)pyridine-3-sulfonamide

C14H23N3O2S2 — CID 80743899

IUPACN-[(2-methylthiolan-2-yl)methyl]-6-(propylamino)pyridine-3-sulfonamide
SMILESCCCNc1ccc(S(=O)(=O)NCC2(C)CCCS2)cn1
InChIInChI=1S/C14H23N3O2S2/c1-3-8-15-13-6-5-12(10-16-13)21(18,19)17-11-14(2)7-4-9-20-14/h5-6,10,17H,3-4,7-9,11H2,1-2H3,(H,15,16)
InChIKeyHHWBIOBIQMGSLI-UHFFFAOYSA-N
MW329.49 g/mol
LogP2.47
Rot. Bonds7

About N-[(2-methylthiolan-2-yl)methyl]-6-(propylamino)pyridine-3-sulfonamide

N-[(2-methylthiolan-2-yl)methyl]-6-(propylamino)pyridine-3-sulfonamide (PubChem CID 80743899) has the molecular formula C14H23N3O2S2 and a molecular weight of 329.49 g/mol. Its IUPAC name is N-[(2-methylthiolan-2-yl)methyl]-6-(propylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[(2-methylthiolan-2-yl)methyl]-6-(propylamino)pyridine-3-sulfonamide
PubChem CID80743899
Molecular FormulaC14H23N3O2S2
Molecular Weight329.49 g/mol
Exact Mass329.12
IUPAC NameN-[(2-methylthiolan-2-yl)methyl]-6-(propylamino)pyridine-3-sulfonamide
SMILESCCCNc1ccc(S(=O)(=O)NCC2(C)CCCS2)cn1
InChIInChI=1S/C14H23N3O2S2/c1-3-8-15-13-6-5-12(10-16-13)21(18,19)17-11-14(2)7-4-9-20-14/h5-6,10,17H,3-4,7-9,11H2,1-2H3,(H,15,16)
InChIKeyHHWBIOBIQMGSLI-UHFFFAOYSA-N
XLogP2.47
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-hydroxy-N-[(2-methylthiolan-2-yl)methyl]benzenesulfonamide
CID 80742757
4-N-[(2-methylthiolan-2-yl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80852928
6-(propylamino)-N-(thiatriazol-5-yl)pyridine-3-sulfonamide
CID 114914131
6-(propylamino)-N-thiophen-3-ylpyridine-3-sulfonamide
CID 66354410
6-(propylamino)-N-pyrazin-2-ylpyridine-3-sulfonamide
CID 62147379
N-(4-fluorophenyl)-6-(propylamino)pyridine-3-sulfonamide
CID 62145210
4-[(2-methylthiolan-2-yl)methylsulfamoyl]benzenecarbothioamide
CID 80736830
4-amino-N-ethyl-3-[(2-methylthiolan-2-yl)methylamino]benzenesulfonamide
CID 82902157
2-chloro-N-[(2-methylthiolan-2-yl)methyl]pyridine-3-sulfonamide
CID 80527113
N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-(propylamino)pyridine-3-sulfonamide
CID 62152436
N-benzyl-6-(propylamino)pyridine-3-sulfonamide
CID 62148374
6-(propylamino)-N-(1H-pyrazol-4-yl)pyridine-3-sulfonamide
CID 62147845

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylthiolan-2-yl)methyl]-6-(propylamino)pyridine-3-sulfonamide?
The IUPAC name of N-[(2-methylthiolan-2-yl)methyl]-6-(propylamino)pyridine-3-sulfonamide (CID 80743899) is N-[(2-methylthiolan-2-yl)methyl]-6-(propylamino)pyridine-3-sulfonamide.
What is the SMILES notation for N-[(2-methylthiolan-2-yl)methyl]-6-(propylamino)pyridine-3-sulfonamide?
The canonical SMILES for N-[(2-methylthiolan-2-yl)methyl]-6-(propylamino)pyridine-3-sulfonamide is CCCNc1ccc(S(=O)(=O)NCC2(C)CCCS2)cn1.
What is the InChIKey of N-[(2-methylthiolan-2-yl)methyl]-6-(propylamino)pyridine-3-sulfonamide?
The InChIKey is HHWBIOBIQMGSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S2/c1-3-8-15-13-6-5-12(10-16-13)21(18,19)17-11-14(2)7-4-9-20-14/h5-6,10,17H,3-4,7-9,11H2,1-2H3,(H,15,16).
What are the key properties of N-[(2-methylthiolan-2-yl)methyl]-6-(propylamino)pyridine-3-sulfonamide?
N-[(2-methylthiolan-2-yl)methyl]-6-(propylamino)pyridine-3-sulfonamide has a molecular weight of 329.49 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylthiolan-2-yl)methyl]-6-(propylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 80743899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).