2-[(3-amino-1-ethylpyrazol-4-yl)sulfonyl-ethylamino]-N-methylacetamide

C10H19N5O3S — CID 54922809

IUPAC2-[(3-amino-1-ethylpyrazol-4-yl)sulfonyl-ethylamino]-N-methylacetamide
SMILESCCN(CC(=O)NC)S(=O)(=O)c1cn(CC)nc1N
InChIInChI=1S/C10H19N5O3S/c1-4-14-6-8(10(11)13-14)19(17,18)15(5-2)7-9(16)12-3/h6H,4-5,7H2,1-3H3,(H2,11,13)(H,12,16)
InChIKeySYUIPTNFEDOZJB-UHFFFAOYSA-N
MW289.36 g/mol
LogP-0.76
Rot. Bonds6

About 2-[(3-amino-1-ethylpyrazol-4-yl)sulfonyl-ethylamino]-N-methylacetamide

2-[(3-amino-1-ethylpyrazol-4-yl)sulfonyl-ethylamino]-N-methylacetamide (PubChem CID 54922809) has the molecular formula C10H19N5O3S and a molecular weight of 289.36 g/mol. Its IUPAC name is 2-[(3-amino-1-ethylpyrazol-4-yl)sulfonyl-ethylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(3-amino-1-ethylpyrazol-4-yl)sulfonyl-ethylamino]-N-methylacetamide
PubChem CID54922809
Molecular FormulaC10H19N5O3S
Molecular Weight289.36 g/mol
Exact Mass289.12
IUPAC Name2-[(3-amino-1-ethylpyrazol-4-yl)sulfonyl-ethylamino]-N-methylacetamide
SMILESCCN(CC(=O)NC)S(=O)(=O)c1cn(CC)nc1N
InChIInChI=1S/C10H19N5O3S/c1-4-14-6-8(10(11)13-14)19(17,18)15(5-2)7-9(16)12-3/h6H,4-5,7H2,1-3H3,(H2,11,13)(H,12,16)
InChIKeySYUIPTNFEDOZJB-UHFFFAOYSA-N
XLogP-0.76
TPSA110.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3-amino-1-ethylpyrazol-4-yl)sulfonyl-ethylamino]-N-ethylacetamide
CID 61114473
3-[(3-amino-1-ethylpyrazol-4-yl)sulfonyl-methylamino]-N-methylpropanamide
CID 106913973
3-amino-N,1-diethyl-N-methylpyrazole-4-sulfonamide
CID 60807966
2-[(3-amino-1-ethylpyrazol-4-yl)sulfonyl-propylamino]-N,N-dimethylacetamide
CID 61126808
3-amino-1-ethyl-N-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 60892701
2-[(2-amino-5-chlorophenyl)sulfonyl-ethylamino]-N-methylacetamide
CID 54888765
ethyl 2-[(3-amino-1-ethylpyrazol-4-yl)sulfonyl-propan-2-ylamino]acetate
CID 61125279
3-[(3-amino-1-ethylpyrazol-4-yl)sulfonylamino]-N,2,2-trimethylpropanamide
CID 106274993
3-amino-N-butyl-N-ethyl-1-propylpyrazole-4-sulfonamide
CID 54922420
2-[(4-amino-2,6-dimethylphenyl)sulfonyl-ethylamino]-N-methylacetamide
CID 79589101
3-amino-N-tert-butyl-1-ethylpyrazole-4-sulfonamide
CID 60814031
1-(3-amino-1-ethylpyrazol-4-yl)sulfonyl-3-tert-butylurea
CID 116646497

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-1-ethylpyrazol-4-yl)sulfonyl-ethylamino]-N-methylacetamide?
The IUPAC name of 2-[(3-amino-1-ethylpyrazol-4-yl)sulfonyl-ethylamino]-N-methylacetamide (CID 54922809) is 2-[(3-amino-1-ethylpyrazol-4-yl)sulfonyl-ethylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(3-amino-1-ethylpyrazol-4-yl)sulfonyl-ethylamino]-N-methylacetamide?
The canonical SMILES for 2-[(3-amino-1-ethylpyrazol-4-yl)sulfonyl-ethylamino]-N-methylacetamide is CCN(CC(=O)NC)S(=O)(=O)c1cn(CC)nc1N.
What is the InChIKey of 2-[(3-amino-1-ethylpyrazol-4-yl)sulfonyl-ethylamino]-N-methylacetamide?
The InChIKey is SYUIPTNFEDOZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O3S/c1-4-14-6-8(10(11)13-14)19(17,18)15(5-2)7-9(16)12-3/h6H,4-5,7H2,1-3H3,(H2,11,13)(H,12,16).
What are the key properties of 2-[(3-amino-1-ethylpyrazol-4-yl)sulfonyl-ethylamino]-N-methylacetamide?
2-[(3-amino-1-ethylpyrazol-4-yl)sulfonyl-ethylamino]-N-methylacetamide has a molecular weight of 289.36 g/mol, XLogP of -0.76, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-1-ethylpyrazol-4-yl)sulfonyl-ethylamino]-N-methylacetamide is sourced from PubChem (CID 54922809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).