N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-2-methoxypropane-1-sulfonamide

C11H18N2O3S2 — CID 102564269

IUPACN-[cyclopropyl(1,3-thiazol-2-yl)methyl]-2-methoxypropane-1-sulfonamide
SMILESCOC(C)CS(=O)(=O)NC(c1nccs1)C1CC1
InChIInChI=1S/C11H18N2O3S2/c1-8(16-2)7-18(14,15)13-10(9-3-4-9)11-12-5-6-17-11/h5-6,8-10,13H,3-4,7H2,1-2H3
InChIKeyMXSIAPRZVGTZSP-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.55
Rot. Bonds7

About N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-2-methoxypropane-1-sulfonamide

N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-2-methoxypropane-1-sulfonamide (PubChem CID 102564269) has the molecular formula C11H18N2O3S2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-2-methoxypropane-1-sulfonamide.

Molecular Properties

Compound NameN-[cyclopropyl(1,3-thiazol-2-yl)methyl]-2-methoxypropane-1-sulfonamide
PubChem CID102564269
Molecular FormulaC11H18N2O3S2
Molecular Weight290.41 g/mol
Exact Mass290.08
IUPAC NameN-[cyclopropyl(1,3-thiazol-2-yl)methyl]-2-methoxypropane-1-sulfonamide
SMILESCOC(C)CS(=O)(=O)NC(c1nccs1)C1CC1
InChIInChI=1S/C11H18N2O3S2/c1-8(16-2)7-18(14,15)13-10(9-3-4-9)11-12-5-6-17-11/h5-6,8-10,13H,3-4,7H2,1-2H3
InChIKeyMXSIAPRZVGTZSP-UHFFFAOYSA-N
XLogP1.55
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-2-methoxypropane-1-sulfonamide?
The IUPAC name of N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-2-methoxypropane-1-sulfonamide (CID 102564269) is N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-2-methoxypropane-1-sulfonamide.
What is the SMILES notation for N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-2-methoxypropane-1-sulfonamide?
The canonical SMILES for N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-2-methoxypropane-1-sulfonamide is COC(C)CS(=O)(=O)NC(c1nccs1)C1CC1.
What is the InChIKey of N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-2-methoxypropane-1-sulfonamide?
The InChIKey is MXSIAPRZVGTZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S2/c1-8(16-2)7-18(14,15)13-10(9-3-4-9)11-12-5-6-17-11/h5-6,8-10,13H,3-4,7H2,1-2H3.
What are the key properties of N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-2-methoxypropane-1-sulfonamide?
N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-2-methoxypropane-1-sulfonamide has a molecular weight of 290.41 g/mol, XLogP of 1.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-2-methoxypropane-1-sulfonamide is sourced from PubChem (CID 102564269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).