2-methoxy-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]ethanesulfonamide

C12H22N2O3S2 — CID 110308152

IUPAC2-methoxy-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]ethanesulfonamide
SMILESCOCCS(=O)(=O)NC(CC(C)C)c1nc(C)cs1
InChIInChI=1S/C12H22N2O3S2/c1-9(2)7-11(12-13-10(3)8-18-12)14-19(15,16)6-5-17-4/h8-9,11,14H,5-7H2,1-4H3
InChIKeyIVCSBYOYMIQRPN-UHFFFAOYSA-N
MW306.45 g/mol
LogP2.10
Rot. Bonds8

About 2-methoxy-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]ethanesulfonamide

2-methoxy-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]ethanesulfonamide (PubChem CID 110308152) has the molecular formula C12H22N2O3S2 and a molecular weight of 306.45 g/mol. Its IUPAC name is 2-methoxy-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]ethanesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]ethanesulfonamide
PubChem CID110308152
Molecular FormulaC12H22N2O3S2
Molecular Weight306.45 g/mol
Exact Mass306.11
IUPAC Name2-methoxy-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]ethanesulfonamide
SMILESCOCCS(=O)(=O)NC(CC(C)C)c1nc(C)cs1
InChIInChI=1S/C12H22N2O3S2/c1-9(2)7-11(12-13-10(3)8-18-12)14-19(15,16)6-5-17-4/h8-9,11,14H,5-7H2,1-4H3
InChIKeyIVCSBYOYMIQRPN-UHFFFAOYSA-N
XLogP2.10
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]ethanesulfonamide?
The IUPAC name of 2-methoxy-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]ethanesulfonamide (CID 110308152) is 2-methoxy-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]ethanesulfonamide.
What is the SMILES notation for 2-methoxy-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]ethanesulfonamide?
The canonical SMILES for 2-methoxy-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]ethanesulfonamide is COCCS(=O)(=O)NC(CC(C)C)c1nc(C)cs1.
What is the InChIKey of 2-methoxy-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]ethanesulfonamide?
The InChIKey is IVCSBYOYMIQRPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3S2/c1-9(2)7-11(12-13-10(3)8-18-12)14-19(15,16)6-5-17-4/h8-9,11,14H,5-7H2,1-4H3.
What are the key properties of 2-methoxy-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]ethanesulfonamide?
2-methoxy-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]ethanesulfonamide has a molecular weight of 306.45 g/mol, XLogP of 2.10, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]ethanesulfonamide is sourced from PubChem (CID 110308152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).