N-[2-[1-(1,3-thiazol-5-yl)ethylamino]ethyl]methanesulfonamide

C8H15N3O2S2 — CID 115713369

IUPACN-[2-[1-(1,3-thiazol-5-yl)ethylamino]ethyl]methanesulfonamide
SMILESCC(NCCNS(C)(=O)=O)c1cncs1
InChIInChI=1S/C8H15N3O2S2/c1-7(8-5-9-6-14-8)10-3-4-11-15(2,12)13/h5-7,10-11H,3-4H2,1-2H3
InChIKeyBNRJWDXZKRGRNR-UHFFFAOYSA-N
MW249.36 g/mol
LogP0.34
Rot. Bonds6

About N-[2-[1-(1,3-thiazol-5-yl)ethylamino]ethyl]methanesulfonamide

N-[2-[1-(1,3-thiazol-5-yl)ethylamino]ethyl]methanesulfonamide (PubChem CID 115713369) has the molecular formula C8H15N3O2S2 and a molecular weight of 249.36 g/mol. Its IUPAC name is N-[2-[1-(1,3-thiazol-5-yl)ethylamino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[1-(1,3-thiazol-5-yl)ethylamino]ethyl]methanesulfonamide
PubChem CID115713369
Molecular FormulaC8H15N3O2S2
Molecular Weight249.36 g/mol
Exact Mass249.06
IUPAC NameN-[2-[1-(1,3-thiazol-5-yl)ethylamino]ethyl]methanesulfonamide
SMILESCC(NCCNS(C)(=O)=O)c1cncs1
InChIInChI=1S/C8H15N3O2S2/c1-7(8-5-9-6-14-8)10-3-4-11-15(2,12)13/h5-7,10-11H,3-4H2,1-2H3
InChIKeyBNRJWDXZKRGRNR-UHFFFAOYSA-N
XLogP0.34
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylsulfanylethyl)-1-(1,3-thiazol-5-yl)ethanamine
CID 115706170
N-methyl-3-[1-(1,3-thiazol-5-yl)ethylamino]propanamide
CID 115712697
3-propan-2-yloxy-N-[1-(1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 115706255
N-[3-[1-(1,3-thiazol-5-yl)ethylamino]phenyl]methanesulfonamide
CID 115928799
2-methylsulfanyl-N-[1-(1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 115895637
5,5,5-trifluoro-N-[1-(1,3-thiazol-5-yl)ethyl]pentan-1-amine
CID 115895753
N-[3-(1-thiophen-2-ylethylamino)propyl]methanesulfonamide
CID 115708210
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(1,3-thiazol-5-yl)ethanamine
CID 115889186
N-[2-(3-methylphenyl)ethyl]-1-(1,3-thiazol-5-yl)ethanamine
CID 115715269
1-pyrrolidin-1-yl-3-[1-(1,3-thiazol-5-yl)ethylamino]propan-1-one
CID 115707088
N,N-diethyl-2-[1-(1,3-thiazol-5-yl)ethylamino]acetamide
CID 115712604
3-[[1-(1,3-thiazol-5-yl)ethylamino]methyl]pentan-3-ol
CID 115714735

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(1,3-thiazol-5-yl)ethylamino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[1-(1,3-thiazol-5-yl)ethylamino]ethyl]methanesulfonamide (CID 115713369) is N-[2-[1-(1,3-thiazol-5-yl)ethylamino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[1-(1,3-thiazol-5-yl)ethylamino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[1-(1,3-thiazol-5-yl)ethylamino]ethyl]methanesulfonamide is CC(NCCNS(C)(=O)=O)c1cncs1.
What is the InChIKey of N-[2-[1-(1,3-thiazol-5-yl)ethylamino]ethyl]methanesulfonamide?
The InChIKey is BNRJWDXZKRGRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2S2/c1-7(8-5-9-6-14-8)10-3-4-11-15(2,12)13/h5-7,10-11H,3-4H2,1-2H3.
What are the key properties of N-[2-[1-(1,3-thiazol-5-yl)ethylamino]ethyl]methanesulfonamide?
N-[2-[1-(1,3-thiazol-5-yl)ethylamino]ethyl]methanesulfonamide has a molecular weight of 249.36 g/mol, XLogP of 0.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(1,3-thiazol-5-yl)ethylamino]ethyl]methanesulfonamide is sourced from PubChem (CID 115713369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).