N-(6-methyl-2-pyridinyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide

C14H19N3O2S2 — CID 106086895

IUPACN-(6-methyl-2-pyridinyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
SMILESCc1cccc(NS(=O)(=O)c2ccsc2CNC(C)C)n1
InChIInChI=1S/C14H19N3O2S2/c1-10(2)15-9-12-13(7-8-20-12)21(18,19)17-14-6-4-5-11(3)16-14/h4-8,10,15H,9H2,1-3H3,(H,16,17)
InChIKeyJPPXIDQUGDIARK-UHFFFAOYSA-N
MW325.46 g/mol
LogP2.75
Rot. Bonds6

About N-(6-methyl-2-pyridinyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide

N-(6-methyl-2-pyridinyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide (PubChem CID 106086895) has the molecular formula C14H19N3O2S2 and a molecular weight of 325.46 g/mol. Its IUPAC name is N-(6-methyl-2-pyridinyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(6-methyl-2-pyridinyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
PubChem CID106086895
Molecular FormulaC14H19N3O2S2
Molecular Weight325.46 g/mol
Exact Mass325.09
IUPAC NameN-(6-methyl-2-pyridinyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
SMILESCc1cccc(NS(=O)(=O)c2ccsc2CNC(C)C)n1
InChIInChI=1S/C14H19N3O2S2/c1-10(2)15-9-12-13(7-8-20-12)21(18,19)17-14-6-4-5-11(3)16-14/h4-8,10,15H,9H2,1-3H3,(H,16,17)
InChIKeyJPPXIDQUGDIARK-UHFFFAOYSA-N
XLogP2.75
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-Thiophenesulfonamide, N-2-pyridinyl-
CID 778330
N-(3-(butylamino)quinoxalin-2-yl)thiophene-2-sulfonamide
CID 664661
5-bromo-N-(6-methyl-2-pyridinyl)-2-thiophenesulfonamide
CID 894180
N-(4,6-dimethylpyridin-2-yl)thiophene-2-sulfonamide
CID 3244699
N-(5-methylpyridin-2-yl)thiophene-2-sulfonamide
CID 4089541
N-(4-methyl-2-pyridinyl)-2-thiophenesulfonamide
CID 778332
N-(6-methyl-2-pyridinyl)-2-thiophenesulfonamide
CID 893587
N-[3-(pentylamino)quinoxalin-2-yl]thiophene-2-sulfonamide
CID 2020356
N-(6-methylpyridin-2-yl)-1-(thien-2-ylsulfonyl)piperidine-4-carboxamide
CID 3238348
1-(6-methyl-2-pyridinyl)-N-(1-thiophen-2-ylethyl)piperidin-4-amine
CID 84587964
1-[[6-(Dimethylamino)-2-pyridinyl]methyl]-3-(1-thiophen-2-ylpropyl)urea
CID 84589903
N-(3-thiophen-2-ylpyrazin-2-yl)propane-1-sulfonamide
CID 172433367

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-2-pyridinyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide?
The IUPAC name of N-(6-methyl-2-pyridinyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide (CID 106086895) is N-(6-methyl-2-pyridinyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide.
What is the SMILES notation for N-(6-methyl-2-pyridinyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide?
The canonical SMILES for N-(6-methyl-2-pyridinyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide is Cc1cccc(NS(=O)(=O)c2ccsc2CNC(C)C)n1.
What is the InChIKey of N-(6-methyl-2-pyridinyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide?
The InChIKey is JPPXIDQUGDIARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S2/c1-10(2)15-9-12-13(7-8-20-12)21(18,19)17-14-6-4-5-11(3)16-14/h4-8,10,15H,9H2,1-3H3,(H,16,17).
What are the key properties of N-(6-methyl-2-pyridinyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide?
N-(6-methyl-2-pyridinyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide has a molecular weight of 325.46 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-2-pyridinyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide is sourced from PubChem (CID 106086895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).