3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-N-(2-piperazin-1-ylethyl)propanamide

C14H26N6O3S — CID 119448052

IUPAC3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-N-(2-piperazin-1-ylethyl)propanamide
SMILESCc1nc(S(=O)(=O)NCCC(=O)NCCN2CCNCC2)cn1C
InChIInChI=1S/C14H26N6O3S/c1-12-18-14(11-19(12)2)24(22,23)17-4-3-13(21)16-7-10-20-8-5-15-6-9-20/h11,15,17H,3-10H2,1-2H3,(H,16,21)
InChIKeyBRKPHXZXISXZAQ-UHFFFAOYSA-N
MW358.47 g/mol
LogP-1.58
Rot. Bonds8

About 3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-N-(2-piperazin-1-ylethyl)propanamide

3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-N-(2-piperazin-1-ylethyl)propanamide (PubChem CID 119448052) has the molecular formula C14H26N6O3S and a molecular weight of 358.47 g/mol. Its IUPAC name is 3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-N-(2-piperazin-1-ylethyl)propanamide.

Molecular Properties

Compound Name3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-N-(2-piperazin-1-ylethyl)propanamide
PubChem CID119448052
Molecular FormulaC14H26N6O3S
Molecular Weight358.47 g/mol
Exact Mass358.18
IUPAC Name3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-N-(2-piperazin-1-ylethyl)propanamide
SMILESCc1nc(S(=O)(=O)NCCC(=O)NCCN2CCNCC2)cn1C
InChIInChI=1S/C14H26N6O3S/c1-12-18-14(11-19(12)2)24(22,23)17-4-3-13(21)16-7-10-20-8-5-15-6-9-20/h11,15,17H,3-10H2,1-2H3,(H,16,21)
InChIKeyBRKPHXZXISXZAQ-UHFFFAOYSA-N
XLogP-1.58
TPSA108.36 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 5-1.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-N-pyrrolidin-3-ylpropanamide
CID 119452987
3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
CID 119513402
3-[(4-nitrophenyl)sulfonylamino]-N-(2-piperazin-1-ylethyl)propanamide
CID 119445662
N-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]-1,2-dimethylimidazole-4-sulfonamide
CID 119647259
1-ethyl-N-(2-piperazin-1-ylethyl)imidazole-4-sulfonamide;dihydrochloride
CID 119966513
3-[(4-nitrophenyl)sulfonylamino]-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 119391413
2,2-dimethyl-N-[3-oxo-3-(2-piperazin-1-ylethylamino)propyl]propanamide
CID 119445483
3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-(2-piperazin-1-ylethyl)propanamide
CID 119446392
3-(3,5-dimethylphenoxy)-N-(2-piperazin-1-ylethyl)propanamide
CID 119447863
N-(2-piperazin-1-ylethyl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
CID 119448539
2-(4-methylphenyl)-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride
CID 119260061
N-(3-cyanopropyl)-1,2-dimethylimidazole-4-sulfonamide
CID 62667388

Frequently Asked Questions

What is the IUPAC name of 3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-N-(2-piperazin-1-ylethyl)propanamide?
The IUPAC name of 3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-N-(2-piperazin-1-ylethyl)propanamide (CID 119448052) is 3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-N-(2-piperazin-1-ylethyl)propanamide.
What is the SMILES notation for 3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-N-(2-piperazin-1-ylethyl)propanamide?
The canonical SMILES for 3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-N-(2-piperazin-1-ylethyl)propanamide is Cc1nc(S(=O)(=O)NCCC(=O)NCCN2CCNCC2)cn1C.
What is the InChIKey of 3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-N-(2-piperazin-1-ylethyl)propanamide?
The InChIKey is BRKPHXZXISXZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N6O3S/c1-12-18-14(11-19(12)2)24(22,23)17-4-3-13(21)16-7-10-20-8-5-15-6-9-20/h11,15,17H,3-10H2,1-2H3,(H,16,21).
What are the key properties of 3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-N-(2-piperazin-1-ylethyl)propanamide?
3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-N-(2-piperazin-1-ylethyl)propanamide has a molecular weight of 358.47 g/mol, XLogP of -1.58, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-N-(2-piperazin-1-ylethyl)propanamide is sourced from PubChem (CID 119448052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).