4-methyl-2-[3-(methylamino)piperidin-1-yl]-1,3-thiazole-5-sulfonamide

C10H18N4O2S2 — CID 114271048

IUPAC4-methyl-2-[3-(methylamino)piperidin-1-yl]-1,3-thiazole-5-sulfonamide
SMILESCNC1CCCN(c2nc(C)c(S(N)(=O)=O)s2)C1
InChIInChI=1S/C10H18N4O2S2/c1-7-9(18(11,15)16)17-10(13-7)14-5-3-4-8(6-14)12-2/h8,12H,3-6H2,1-2H3,(H2,11,15,16)
InChIKeyUBACXWAHKXAZEM-UHFFFAOYSA-N
MW290.41 g/mol
LogP0.29
Rot. Bonds3

About 4-methyl-2-[3-(methylamino)piperidin-1-yl]-1,3-thiazole-5-sulfonamide

4-methyl-2-[3-(methylamino)piperidin-1-yl]-1,3-thiazole-5-sulfonamide (PubChem CID 114271048) has the molecular formula C10H18N4O2S2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-methyl-2-[3-(methylamino)piperidin-1-yl]-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name4-methyl-2-[3-(methylamino)piperidin-1-yl]-1,3-thiazole-5-sulfonamide
PubChem CID114271048
Molecular FormulaC10H18N4O2S2
Molecular Weight290.41 g/mol
Exact Mass290.09
IUPAC Name4-methyl-2-[3-(methylamino)piperidin-1-yl]-1,3-thiazole-5-sulfonamide
SMILESCNC1CCCN(c2nc(C)c(S(N)(=O)=O)s2)C1
InChIInChI=1S/C10H18N4O2S2/c1-7-9(18(11,15)16)17-10(13-7)14-5-3-4-8(6-14)12-2/h8,12H,3-6H2,1-2H3,(H2,11,15,16)
InChIKeyUBACXWAHKXAZEM-UHFFFAOYSA-N
XLogP0.29
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[3-(methylamino)piperidin-1-yl]-1,3-thiazole-5-sulfonamide?
The IUPAC name of 4-methyl-2-[3-(methylamino)piperidin-1-yl]-1,3-thiazole-5-sulfonamide (CID 114271048) is 4-methyl-2-[3-(methylamino)piperidin-1-yl]-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 4-methyl-2-[3-(methylamino)piperidin-1-yl]-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 4-methyl-2-[3-(methylamino)piperidin-1-yl]-1,3-thiazole-5-sulfonamide is CNC1CCCN(c2nc(C)c(S(N)(=O)=O)s2)C1.
What is the InChIKey of 4-methyl-2-[3-(methylamino)piperidin-1-yl]-1,3-thiazole-5-sulfonamide?
The InChIKey is UBACXWAHKXAZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2S2/c1-7-9(18(11,15)16)17-10(13-7)14-5-3-4-8(6-14)12-2/h8,12H,3-6H2,1-2H3,(H2,11,15,16).
What are the key properties of 4-methyl-2-[3-(methylamino)piperidin-1-yl]-1,3-thiazole-5-sulfonamide?
4-methyl-2-[3-(methylamino)piperidin-1-yl]-1,3-thiazole-5-sulfonamide has a molecular weight of 290.41 g/mol, XLogP of 0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[3-(methylamino)piperidin-1-yl]-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 114271048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).