2-[(5-ethylthiophen-2-yl)methylamino]-N,N-dimethylethanesulfonamide

C11H20N2O2S2 — CID 114175013

IUPAC2-[(5-ethylthiophen-2-yl)methylamino]-N,N-dimethylethanesulfonamide
SMILESCCc1ccc(CNCCS(=O)(=O)N(C)C)s1
InChIInChI=1S/C11H20N2O2S2/c1-4-10-5-6-11(16-10)9-12-7-8-17(14,15)13(2)3/h5-6,12H,4,7-9H2,1-3H3
InChIKeyBITDUSWJDZZMJJ-UHFFFAOYSA-N
MW276.43 g/mol
LogP1.29
Rot. Bonds7

About 2-[(5-ethylthiophen-2-yl)methylamino]-N,N-dimethylethanesulfonamide

2-[(5-ethylthiophen-2-yl)methylamino]-N,N-dimethylethanesulfonamide (PubChem CID 114175013) has the molecular formula C11H20N2O2S2 and a molecular weight of 276.43 g/mol. Its IUPAC name is 2-[(5-ethylthiophen-2-yl)methylamino]-N,N-dimethylethanesulfonamide.

Molecular Properties

Compound Name2-[(5-ethylthiophen-2-yl)methylamino]-N,N-dimethylethanesulfonamide
PubChem CID114175013
Molecular FormulaC11H20N2O2S2
Molecular Weight276.43 g/mol
Exact Mass276.10
IUPAC Name2-[(5-ethylthiophen-2-yl)methylamino]-N,N-dimethylethanesulfonamide
SMILESCCc1ccc(CNCCS(=O)(=O)N(C)C)s1
InChIInChI=1S/C11H20N2O2S2/c1-4-10-5-6-11(16-10)9-12-7-8-17(14,15)13(2)3/h5-6,12H,4,7-9H2,1-3H3
InChIKeyBITDUSWJDZZMJJ-UHFFFAOYSA-N
XLogP1.29
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-tert-butylthiophen-2-yl)methylamino]-N,N-dimethylethanesulfonamide
CID 106335429
3-ethylsulfonyl-N-[(5-ethylthiophen-2-yl)methyl]propan-1-amine
CID 106011044
N'-[(5-ethylthiophen-2-yl)methyl]ethane-1,2-diamine
CID 62142433
N,N-dimethyl-2-[(4-methylphenyl)methylamino]ethanesulfonamide
CID 106335849
N-[(5-ethylthiophen-2-yl)methyl]heptan-1-amine
CID 106009218
2-[[5-(hydroxymethyl)furan-2-yl]methylamino]-N,N-dimethylethanesulfonamide
CID 114175071
N'-[(5-ethylthiophen-2-yl)methyl]-N-prop-2-ynylethane-1,2-diamine
CID 106012225
N-[2-[(5-ethylthiophen-2-yl)methylamino]ethyl]cyclopropanecarboxamide
CID 115618862
2-[[4-(methoxymethyl)phenyl]methylamino]-N,N-dimethylethanesulfonamide
CID 106335084
N,N-dimethyl-2-[(4-propan-2-ylphenyl)methylamino]ethanesulfonamide
CID 106335225
N-[(5-ethylthiophen-2-yl)methyl]-3-(propan-2-ylamino)propane-1-sulfonamide
CID 106013665
N-[(5-bromothiophen-2-yl)methyl]-2-propylsulfonylethanamine
CID 106723329

Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethylthiophen-2-yl)methylamino]-N,N-dimethylethanesulfonamide?
The IUPAC name of 2-[(5-ethylthiophen-2-yl)methylamino]-N,N-dimethylethanesulfonamide (CID 114175013) is 2-[(5-ethylthiophen-2-yl)methylamino]-N,N-dimethylethanesulfonamide.
What is the SMILES notation for 2-[(5-ethylthiophen-2-yl)methylamino]-N,N-dimethylethanesulfonamide?
The canonical SMILES for 2-[(5-ethylthiophen-2-yl)methylamino]-N,N-dimethylethanesulfonamide is CCc1ccc(CNCCS(=O)(=O)N(C)C)s1.
What is the InChIKey of 2-[(5-ethylthiophen-2-yl)methylamino]-N,N-dimethylethanesulfonamide?
The InChIKey is BITDUSWJDZZMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S2/c1-4-10-5-6-11(16-10)9-12-7-8-17(14,15)13(2)3/h5-6,12H,4,7-9H2,1-3H3.
What are the key properties of 2-[(5-ethylthiophen-2-yl)methylamino]-N,N-dimethylethanesulfonamide?
2-[(5-ethylthiophen-2-yl)methylamino]-N,N-dimethylethanesulfonamide has a molecular weight of 276.43 g/mol, XLogP of 1.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethylthiophen-2-yl)methylamino]-N,N-dimethylethanesulfonamide is sourced from PubChem (CID 114175013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).