2-ethylsulfonyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]ethanamine

C10H18N2O2S2 — CID 115684331

IUPAC2-ethylsulfonyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]ethanamine
SMILESCCc1ncc(CNCCS(=O)(=O)CC)s1
InChIInChI=1S/C10H18N2O2S2/c1-3-10-12-8-9(15-10)7-11-5-6-16(13,14)4-2/h8,11H,3-7H2,1-2H3
InChIKeyIOVJNAWSABJUAX-UHFFFAOYSA-N
MW262.40 g/mol
LogP1.23
Rot. Bonds7

About 2-ethylsulfonyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]ethanamine

2-ethylsulfonyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]ethanamine (PubChem CID 115684331) has the molecular formula C10H18N2O2S2 and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-ethylsulfonyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-ethylsulfonyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]ethanamine
PubChem CID115684331
Molecular FormulaC10H18N2O2S2
Molecular Weight262.40 g/mol
Exact Mass262.08
IUPAC Name2-ethylsulfonyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]ethanamine
SMILESCCc1ncc(CNCCS(=O)(=O)CC)s1
InChIInChI=1S/C10H18N2O2S2/c1-3-10-12-8-9(15-10)7-11-5-6-16(13,14)4-2/h8,11H,3-7H2,1-2H3
InChIKeyIOVJNAWSABJUAX-UHFFFAOYSA-N
XLogP1.23
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 51.23
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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Related Compounds

2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]ethanol
CID 60982756
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-ethylsulfonylethanamine
CID 103642971
N-[[2-(propylsulfonylmethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82423466
N'-[(2-ethyl-1,3-thiazol-5-yl)methyl]butane-1,4-diamine
CID 60982775
1-(2-ethyl-1,3-thiazol-5-yl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]methanamine
CID 103741081
methyl 3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]propanoate
CID 60982151
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-N',N'-dimethylpropane-1,3-diamine
CID 60982755
2-cyclopentyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 60983544
2-tert-butylsulfanyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 115684335
4-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-2,2-dimethylbutanoic acid
CID 122127045
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 54883757
2-methoxy-N-[[2-(propylsulfonylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82423472

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]ethanamine?
The IUPAC name of 2-ethylsulfonyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]ethanamine (CID 115684331) is 2-ethylsulfonyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for 2-ethylsulfonyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]ethanamine?
The canonical SMILES for 2-ethylsulfonyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]ethanamine is CCc1ncc(CNCCS(=O)(=O)CC)s1.
What is the InChIKey of 2-ethylsulfonyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]ethanamine?
The InChIKey is IOVJNAWSABJUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S2/c1-3-10-12-8-9(15-10)7-11-5-6-16(13,14)4-2/h8,11H,3-7H2,1-2H3.
What are the key properties of 2-ethylsulfonyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]ethanamine?
2-ethylsulfonyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]ethanamine has a molecular weight of 262.40 g/mol, XLogP of 1.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 115684331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).