N-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-N-methylpyridine-3-sulfonamide

C14H22N4O3S — CID 120569880

IUPACN-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-N-methylpyridine-3-sulfonamide
SMILESCC1NCCN(C(=O)CN(C)S(=O)(=O)c2cccnc2)C1C
InChIInChI=1S/C14H22N4O3S/c1-11-12(2)18(8-7-16-11)14(19)10-17(3)22(20,21)13-5-4-6-15-9-13/h4-6,9,11-12,16H,7-8,10H2,1-3H3
InChIKeySZSWJZMNCZYGIL-UHFFFAOYSA-N
MW326.42 g/mol
LogP-0.09
Rot. Bonds4

About N-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-N-methylpyridine-3-sulfonamide

N-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-N-methylpyridine-3-sulfonamide (PubChem CID 120569880) has the molecular formula C14H22N4O3S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-N-methylpyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-N-methylpyridine-3-sulfonamide
PubChem CID120569880
Molecular FormulaC14H22N4O3S
Molecular Weight326.42 g/mol
Exact Mass326.14
IUPAC NameN-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-N-methylpyridine-3-sulfonamide
SMILESCC1NCCN(C(=O)CN(C)S(=O)(=O)c2cccnc2)C1C
InChIInChI=1S/C14H22N4O3S/c1-11-12(2)18(8-7-16-11)14(19)10-17(3)22(20,21)13-5-4-6-15-9-13/h4-6,9,11-12,16H,7-8,10H2,1-3H3
InChIKeySZSWJZMNCZYGIL-UHFFFAOYSA-N
XLogP-0.09
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1,4-diazepan-1-yl)-2-oxoethyl]-N-methylpyridine-3-sulfonamide
CID 119414940
N-ethyl-1-[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]piperidine-3-carboxamide
CID 49050534
2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 47029650
N-[2-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-2-oxoethyl]-N-methylpyridine-3-sulfonamide
CID 55956101
2-[4-[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]morpholin-2-yl]acetic acid
CID 120527570
N,N-diethyl-1-[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]-2,3-dihydroindole-5-sulfonamide
CID 55668145
N-methyl-N-[2-(3-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide;hydrochloride
CID 119576332
N-methyl-N-[2-oxo-2-[4-(2,3,4-trifluorophenyl)sulfonylpiperazin-1-yl]ethyl]pyridine-3-sulfonamide
CID 55666815
2-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethoxy]-N-(pyridin-3-ylmethyl)acetamide
CID 120572330
N-[2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-2-oxoethyl]-N-methylpyridine-3-sulfonamide
CID 46490174
N-methyl-2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(pyridin-4-ylmethyl)acetamide
CID 55683377
N-methyl-N-(pyrrolidin-3-ylmethyl)pyridine-3-sulfonamide
CID 115272244

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-N-methylpyridine-3-sulfonamide?
The IUPAC name of N-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-N-methylpyridine-3-sulfonamide (CID 120569880) is N-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-N-methylpyridine-3-sulfonamide.
What is the SMILES notation for N-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-N-methylpyridine-3-sulfonamide?
The canonical SMILES for N-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-N-methylpyridine-3-sulfonamide is CC1NCCN(C(=O)CN(C)S(=O)(=O)c2cccnc2)C1C.
What is the InChIKey of N-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-N-methylpyridine-3-sulfonamide?
The InChIKey is SZSWJZMNCZYGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3S/c1-11-12(2)18(8-7-16-11)14(19)10-17(3)22(20,21)13-5-4-6-15-9-13/h4-6,9,11-12,16H,7-8,10H2,1-3H3.
What are the key properties of N-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-N-methylpyridine-3-sulfonamide?
N-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-N-methylpyridine-3-sulfonamide has a molecular weight of 326.42 g/mol, XLogP of -0.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-N-methylpyridine-3-sulfonamide is sourced from PubChem (CID 120569880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).