2-[(5-amino-3-methylimidazol-4-yl)sulfonyl-(2-methoxyethyl)amino]-N,N-dimethylacetamide

C11H21N5O4S — CID 63980022

IUPAC2-[(5-amino-3-methylimidazol-4-yl)sulfonyl-(2-methoxyethyl)amino]-N,N-dimethylacetamide
SMILESCOCCN(CC(=O)N(C)C)S(=O)(=O)c1c(N)ncn1C
InChIInChI=1S/C11H21N5O4S/c1-14(2)9(17)7-16(5-6-20-4)21(18,19)11-10(12)13-8-15(11)3/h8H,5-7,12H2,1-4H3
InChIKeyQPZVWFFWCAPGRX-UHFFFAOYSA-N
MW319.39 g/mol
LogP-1.27
Rot. Bonds7

About 2-[(5-amino-3-methylimidazol-4-yl)sulfonyl-(2-methoxyethyl)amino]-N,N-dimethylacetamide

2-[(5-amino-3-methylimidazol-4-yl)sulfonyl-(2-methoxyethyl)amino]-N,N-dimethylacetamide (PubChem CID 63980022) has the molecular formula C11H21N5O4S and a molecular weight of 319.39 g/mol. Its IUPAC name is 2-[(5-amino-3-methylimidazol-4-yl)sulfonyl-(2-methoxyethyl)amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(5-amino-3-methylimidazol-4-yl)sulfonyl-(2-methoxyethyl)amino]-N,N-dimethylacetamide
PubChem CID63980022
Molecular FormulaC11H21N5O4S
Molecular Weight319.39 g/mol
Exact Mass319.13
IUPAC Name2-[(5-amino-3-methylimidazol-4-yl)sulfonyl-(2-methoxyethyl)amino]-N,N-dimethylacetamide
SMILESCOCCN(CC(=O)N(C)C)S(=O)(=O)c1c(N)ncn1C
InChIInChI=1S/C11H21N5O4S/c1-14(2)9(17)7-16(5-6-20-4)21(18,19)11-10(12)13-8-15(11)3/h8H,5-7,12H2,1-4H3
InChIKeyQPZVWFFWCAPGRX-UHFFFAOYSA-N
XLogP-1.27
TPSA110.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 5-1.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-3-methylimidazol-4-yl)sulfonyl-(2-methoxyethyl)amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(5-amino-3-methylimidazol-4-yl)sulfonyl-(2-methoxyethyl)amino]-N,N-dimethylacetamide (CID 63980022) is 2-[(5-amino-3-methylimidazol-4-yl)sulfonyl-(2-methoxyethyl)amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(5-amino-3-methylimidazol-4-yl)sulfonyl-(2-methoxyethyl)amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(5-amino-3-methylimidazol-4-yl)sulfonyl-(2-methoxyethyl)amino]-N,N-dimethylacetamide is COCCN(CC(=O)N(C)C)S(=O)(=O)c1c(N)ncn1C.
What is the InChIKey of 2-[(5-amino-3-methylimidazol-4-yl)sulfonyl-(2-methoxyethyl)amino]-N,N-dimethylacetamide?
The InChIKey is QPZVWFFWCAPGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O4S/c1-14(2)9(17)7-16(5-6-20-4)21(18,19)11-10(12)13-8-15(11)3/h8H,5-7,12H2,1-4H3.
What are the key properties of 2-[(5-amino-3-methylimidazol-4-yl)sulfonyl-(2-methoxyethyl)amino]-N,N-dimethylacetamide?
2-[(5-amino-3-methylimidazol-4-yl)sulfonyl-(2-methoxyethyl)amino]-N,N-dimethylacetamide has a molecular weight of 319.39 g/mol, XLogP of -1.27, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-3-methylimidazol-4-yl)sulfonyl-(2-methoxyethyl)amino]-N,N-dimethylacetamide is sourced from PubChem (CID 63980022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).