2-[(1,2-dimethylimidazol-4-yl)sulfonyl-piperidin-4-ylamino]acetamide

C12H21N5O3S — CID 62061783

IUPAC2-[(1,2-dimethylimidazol-4-yl)sulfonyl-piperidin-4-ylamino]acetamide
SMILESCc1nc(S(=O)(=O)N(CC(N)=O)C2CCNCC2)cn1C
InChIInChI=1S/C12H21N5O3S/c1-9-15-12(8-16(9)2)21(19,20)17(7-11(13)18)10-3-5-14-6-4-10/h8,10,14H,3-7H2,1-2H3,(H2,13,18)
InChIKeyMXEVIFBNSJPKRR-UHFFFAOYSA-N
MW315.40 g/mol
LogP-1.04
Rot. Bonds5

About 2-[(1,2-dimethylimidazol-4-yl)sulfonyl-piperidin-4-ylamino]acetamide

2-[(1,2-dimethylimidazol-4-yl)sulfonyl-piperidin-4-ylamino]acetamide (PubChem CID 62061783) has the molecular formula C12H21N5O3S and a molecular weight of 315.40 g/mol. Its IUPAC name is 2-[(1,2-dimethylimidazol-4-yl)sulfonyl-piperidin-4-ylamino]acetamide.

Molecular Properties

Compound Name2-[(1,2-dimethylimidazol-4-yl)sulfonyl-piperidin-4-ylamino]acetamide
PubChem CID62061783
Molecular FormulaC12H21N5O3S
Molecular Weight315.40 g/mol
Exact Mass315.14
IUPAC Name2-[(1,2-dimethylimidazol-4-yl)sulfonyl-piperidin-4-ylamino]acetamide
SMILESCc1nc(S(=O)(=O)N(CC(N)=O)C2CCNCC2)cn1C
InChIInChI=1S/C12H21N5O3S/c1-9-15-12(8-16(9)2)21(19,20)17(7-11(13)18)10-3-5-14-6-4-10/h8,10,14H,3-7H2,1-2H3,(H2,13,18)
InChIKeyMXEVIFBNSJPKRR-UHFFFAOYSA-N
XLogP-1.04
TPSA110.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 5-1.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[cyclopentyl-(1,2-dimethylimidazol-4-yl)sulfonylamino]acetic acid
CID 62061909
N-(azetidin-3-yl)-1,2-dimethyl-N-propylimidazole-4-sulfonamide
CID 66215276
N,1,2-trimethyl-N-(2-oxo-2-piperazin-1-ylethyl)imidazole-4-sulfonamide
CID 62061381
2-[carboxymethyl-(1,2-dimethylimidazol-4-yl)sulfonylamino]acetic acid
CID 63646589
2-[piperidin-4-yl(thiophen-2-ylsulfonyl)amino]acetamide
CID 60802279
2-[methylsulfamoyl(piperidin-4-yl)amino]acetamide
CID 114810545
methyl 2-[(2-amino-2-oxoethyl)-piperidin-4-ylsulfamoyl]acetate
CID 61360325
2-[(3-chlorophenyl)sulfonyl-piperidin-4-ylamino]acetamide
CID 60801411
2-[(3-fluorophenyl)sulfonyl-piperidin-4-ylamino]acetamide
CID 60799639
2-[azepan-1-ylsulfonyl(piperidin-4-yl)amino]acetamide
CID 60801061
3-[cyclopropyl-(2-methyl-1-propylimidazol-4-yl)sulfonylamino]propanethioamide
CID 62066992
methyl 2-[(1,2-dimethylimidazol-4-yl)sulfonyl-methylamino]acetate
CID 55030482

Frequently Asked Questions

What is the IUPAC name of 2-[(1,2-dimethylimidazol-4-yl)sulfonyl-piperidin-4-ylamino]acetamide?
The IUPAC name of 2-[(1,2-dimethylimidazol-4-yl)sulfonyl-piperidin-4-ylamino]acetamide (CID 62061783) is 2-[(1,2-dimethylimidazol-4-yl)sulfonyl-piperidin-4-ylamino]acetamide.
What is the SMILES notation for 2-[(1,2-dimethylimidazol-4-yl)sulfonyl-piperidin-4-ylamino]acetamide?
The canonical SMILES for 2-[(1,2-dimethylimidazol-4-yl)sulfonyl-piperidin-4-ylamino]acetamide is Cc1nc(S(=O)(=O)N(CC(N)=O)C2CCNCC2)cn1C.
What is the InChIKey of 2-[(1,2-dimethylimidazol-4-yl)sulfonyl-piperidin-4-ylamino]acetamide?
The InChIKey is MXEVIFBNSJPKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O3S/c1-9-15-12(8-16(9)2)21(19,20)17(7-11(13)18)10-3-5-14-6-4-10/h8,10,14H,3-7H2,1-2H3,(H2,13,18).
What are the key properties of 2-[(1,2-dimethylimidazol-4-yl)sulfonyl-piperidin-4-ylamino]acetamide?
2-[(1,2-dimethylimidazol-4-yl)sulfonyl-piperidin-4-ylamino]acetamide has a molecular weight of 315.40 g/mol, XLogP of -1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,2-dimethylimidazol-4-yl)sulfonyl-piperidin-4-ylamino]acetamide is sourced from PubChem (CID 62061783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).