N-ethyl-N-[3-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propyl]methanesulfonamide

C12H23N3O2S2 — CID 54903725

IUPACN-ethyl-N-[3-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propyl]methanesulfonamide
SMILESCCN(CCCNC(C)c1csc(C)n1)S(C)(=O)=O
InChIInChI=1S/C12H23N3O2S2/c1-5-15(19(4,16)17)8-6-7-13-10(2)12-9-18-11(3)14-12/h9-10,13H,5-8H2,1-4H3
InChIKeyYMUAUBOILGDJKE-UHFFFAOYSA-N
MW305.47 g/mol
LogP1.77
Rot. Bonds8

About N-ethyl-N-[3-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propyl]methanesulfonamide

N-ethyl-N-[3-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propyl]methanesulfonamide (PubChem CID 54903725) has the molecular formula C12H23N3O2S2 and a molecular weight of 305.47 g/mol. Its IUPAC name is N-ethyl-N-[3-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-[3-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propyl]methanesulfonamide
PubChem CID54903725
Molecular FormulaC12H23N3O2S2
Molecular Weight305.47 g/mol
Exact Mass305.12
IUPAC NameN-ethyl-N-[3-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propyl]methanesulfonamide
SMILESCCN(CCCNC(C)c1csc(C)n1)S(C)(=O)=O
InChIInChI=1S/C12H23N3O2S2/c1-5-15(19(4,16)17)8-6-7-13-10(2)12-9-18-11(3)14-12/h9-10,13H,5-8H2,1-4H3
InChIKeyYMUAUBOILGDJKE-UHFFFAOYSA-N
XLogP1.77
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[3-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propyl]methanesulfonamide?
The IUPAC name of N-ethyl-N-[3-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propyl]methanesulfonamide (CID 54903725) is N-ethyl-N-[3-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propyl]methanesulfonamide.
What is the SMILES notation for N-ethyl-N-[3-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propyl]methanesulfonamide?
The canonical SMILES for N-ethyl-N-[3-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propyl]methanesulfonamide is CCN(CCCNC(C)c1csc(C)n1)S(C)(=O)=O.
What is the InChIKey of N-ethyl-N-[3-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propyl]methanesulfonamide?
The InChIKey is YMUAUBOILGDJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2S2/c1-5-15(19(4,16)17)8-6-7-13-10(2)12-9-18-11(3)14-12/h9-10,13H,5-8H2,1-4H3.
What are the key properties of N-ethyl-N-[3-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propyl]methanesulfonamide?
N-ethyl-N-[3-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propyl]methanesulfonamide has a molecular weight of 305.47 g/mol, XLogP of 1.77, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[3-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propyl]methanesulfonamide is sourced from PubChem (CID 54903725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).