N,1,2-trimethyl-N-(2-oxo-2-piperazin-1-ylethyl)imidazole-4-sulfonamide

C12H21N5O3S — CID 62061381

IUPACN,1,2-trimethyl-N-(2-oxo-2-piperazin-1-ylethyl)imidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)N(C)CC(=O)N2CCNCC2)cn1C
InChIInChI=1S/C12H21N5O3S/c1-10-14-11(8-15(10)2)21(19,20)16(3)9-12(18)17-6-4-13-5-7-17/h8,13H,4-7,9H2,1-3H3
InChIKeyYDQBPNXFRBKBGA-UHFFFAOYSA-N
MW315.40 g/mol
LogP-1.22
Rot. Bonds4

About N,1,2-trimethyl-N-(2-oxo-2-piperazin-1-ylethyl)imidazole-4-sulfonamide

N,1,2-trimethyl-N-(2-oxo-2-piperazin-1-ylethyl)imidazole-4-sulfonamide (PubChem CID 62061381) has the molecular formula C12H21N5O3S and a molecular weight of 315.40 g/mol. Its IUPAC name is N,1,2-trimethyl-N-(2-oxo-2-piperazin-1-ylethyl)imidazole-4-sulfonamide.

Molecular Properties

Compound NameN,1,2-trimethyl-N-(2-oxo-2-piperazin-1-ylethyl)imidazole-4-sulfonamide
PubChem CID62061381
Molecular FormulaC12H21N5O3S
Molecular Weight315.40 g/mol
Exact Mass315.14
IUPAC NameN,1,2-trimethyl-N-(2-oxo-2-piperazin-1-ylethyl)imidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)N(C)CC(=O)N2CCNCC2)cn1C
InChIInChI=1S/C12H21N5O3S/c1-10-14-11(8-15(10)2)21(19,20)16(3)9-12(18)17-6-4-13-5-7-17/h8,13H,4-7,9H2,1-3H3
InChIKeyYDQBPNXFRBKBGA-UHFFFAOYSA-N
XLogP-1.22
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 5-1.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,1-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)imidazole-4-sulfonamide
CID 62373281
methyl 2-[(1,2-dimethylimidazol-4-yl)sulfonyl-methylamino]acetate
CID 55030482
4-iodo-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 61018949
3,5-dichloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 119967371
N,3,5-trimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-1,2-oxazole-4-sulfonamide;hydrochloride
CID 119967422
2-[(1,2-dimethylimidazol-4-yl)sulfonyl-piperidin-4-ylamino]acetamide
CID 62061783
5-bromo-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyridine-3-sulfonamide;hydrochloride
CID 119967553
2-chloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 61018551
2,4,6-trifluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 119967473
2,6-difluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide;hydrochloride
CID 119967328
N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-(2-oxo-2-piperazin-1-ylethyl)methanesulfonamide
CID 61019091
4-chloro-2-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 119967488

Frequently Asked Questions

What is the IUPAC name of N,1,2-trimethyl-N-(2-oxo-2-piperazin-1-ylethyl)imidazole-4-sulfonamide?
The IUPAC name of N,1,2-trimethyl-N-(2-oxo-2-piperazin-1-ylethyl)imidazole-4-sulfonamide (CID 62061381) is N,1,2-trimethyl-N-(2-oxo-2-piperazin-1-ylethyl)imidazole-4-sulfonamide.
What is the SMILES notation for N,1,2-trimethyl-N-(2-oxo-2-piperazin-1-ylethyl)imidazole-4-sulfonamide?
The canonical SMILES for N,1,2-trimethyl-N-(2-oxo-2-piperazin-1-ylethyl)imidazole-4-sulfonamide is Cc1nc(S(=O)(=O)N(C)CC(=O)N2CCNCC2)cn1C.
What is the InChIKey of N,1,2-trimethyl-N-(2-oxo-2-piperazin-1-ylethyl)imidazole-4-sulfonamide?
The InChIKey is YDQBPNXFRBKBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O3S/c1-10-14-11(8-15(10)2)21(19,20)16(3)9-12(18)17-6-4-13-5-7-17/h8,13H,4-7,9H2,1-3H3.
What are the key properties of N,1,2-trimethyl-N-(2-oxo-2-piperazin-1-ylethyl)imidazole-4-sulfonamide?
N,1,2-trimethyl-N-(2-oxo-2-piperazin-1-ylethyl)imidazole-4-sulfonamide has a molecular weight of 315.40 g/mol, XLogP of -1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,2-trimethyl-N-(2-oxo-2-piperazin-1-ylethyl)imidazole-4-sulfonamide is sourced from PubChem (CID 62061381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).