5-(4-methoxypiperidin-1-yl)sulfonyl-4-methyl-1,3-thiazol-2-amine

C10H17N3O3S2 — CID 63945987

IUPAC5-(4-methoxypiperidin-1-yl)sulfonyl-4-methyl-1,3-thiazol-2-amine
SMILESCOC1CCN(S(=O)(=O)c2sc(N)nc2C)CC1
InChIInChI=1S/C10H17N3O3S2/c1-7-9(17-10(11)12-7)18(14,15)13-5-3-8(16-2)4-6-13/h8H,3-6H2,1-2H3,(H2,11,12)
InChIKeyDMOGHLCHCIANSQ-UHFFFAOYSA-N
MW291.40 g/mol
LogP0.83
Rot. Bonds3

About 5-(4-methoxypiperidin-1-yl)sulfonyl-4-methyl-1,3-thiazol-2-amine

5-(4-methoxypiperidin-1-yl)sulfonyl-4-methyl-1,3-thiazol-2-amine (PubChem CID 63945987) has the molecular formula C10H17N3O3S2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 5-(4-methoxypiperidin-1-yl)sulfonyl-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(4-methoxypiperidin-1-yl)sulfonyl-4-methyl-1,3-thiazol-2-amine
PubChem CID63945987
Molecular FormulaC10H17N3O3S2
Molecular Weight291.40 g/mol
Exact Mass291.07
IUPAC Name5-(4-methoxypiperidin-1-yl)sulfonyl-4-methyl-1,3-thiazol-2-amine
SMILESCOC1CCN(S(=O)(=O)c2sc(N)nc2C)CC1
InChIInChI=1S/C10H17N3O3S2/c1-7-9(17-10(11)12-7)18(14,15)13-5-3-8(16-2)4-6-13/h8H,3-6H2,1-2H3,(H2,11,12)
InChIKeyDMOGHLCHCIANSQ-UHFFFAOYSA-N
XLogP0.83
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxypiperidin-1-yl)sulfonyl-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-(4-methoxypiperidin-1-yl)sulfonyl-4-methyl-1,3-thiazol-2-amine (CID 63945987) is 5-(4-methoxypiperidin-1-yl)sulfonyl-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(4-methoxypiperidin-1-yl)sulfonyl-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(4-methoxypiperidin-1-yl)sulfonyl-4-methyl-1,3-thiazol-2-amine is COC1CCN(S(=O)(=O)c2sc(N)nc2C)CC1.
What is the InChIKey of 5-(4-methoxypiperidin-1-yl)sulfonyl-4-methyl-1,3-thiazol-2-amine?
The InChIKey is DMOGHLCHCIANSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S2/c1-7-9(17-10(11)12-7)18(14,15)13-5-3-8(16-2)4-6-13/h8H,3-6H2,1-2H3,(H2,11,12).
What are the key properties of 5-(4-methoxypiperidin-1-yl)sulfonyl-4-methyl-1,3-thiazol-2-amine?
5-(4-methoxypiperidin-1-yl)sulfonyl-4-methyl-1,3-thiazol-2-amine has a molecular weight of 291.40 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxypiperidin-1-yl)sulfonyl-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 63945987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).