N-[2-(dimethylamino)ethyl]-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]methanesulfonamide

C17H29N5O3S — CID 113138133

IUPACN-[2-(dimethylamino)ethyl]-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]methanesulfonamide
SMILESCN(C)CCN(CCC(=O)N1CCN(c2ccccn2)CC1)S(C)(=O)=O
InChIInChI=1S/C17H29N5O3S/c1-19(2)10-15-22(26(3,24)25)9-7-17(23)21-13-11-20(12-14-21)16-6-4-5-8-18-16/h4-6,8H,7,9-15H2,1-3H3
InChIKeyOAADJKGGYUTJEY-UHFFFAOYSA-N
MW383.52 g/mol
LogP-0.06
Rot. Bonds8

About N-[2-(dimethylamino)ethyl]-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]methanesulfonamide

N-[2-(dimethylamino)ethyl]-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]methanesulfonamide (PubChem CID 113138133) has the molecular formula C17H29N5O3S and a molecular weight of 383.52 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]methanesulfonamide
PubChem CID113138133
Molecular FormulaC17H29N5O3S
Molecular Weight383.52 g/mol
Exact Mass383.20
IUPAC NameN-[2-(dimethylamino)ethyl]-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]methanesulfonamide
SMILESCN(C)CCN(CCC(=O)N1CCN(c2ccccn2)CC1)S(C)(=O)=O
InChIInChI=1S/C17H29N5O3S/c1-19(2)10-15-22(26(3,24)25)9-7-17(23)21-13-11-20(12-14-21)16-6-4-5-8-18-16/h4-6,8H,7,9-15H2,1-3H3
InChIKeyOAADJKGGYUTJEY-UHFFFAOYSA-N
XLogP-0.06
TPSA77.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 5-0.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-N-pentylmethanesulfonamide
CID 113141293
N-[2-(dimethylamino)ethyl]-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]acetamide
CID 113117514
2-[3-(dimethylamino)propylamino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 108995090
N-cyclohexyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]methanesulfonamide
CID 113149044
1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 18714915
3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 86862469
3-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 51934402
4-amino-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
CID 22692257
N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]propane-1-sulfonamide
CID 51100868
3-(2-methyl-1,3-thiazol-4-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 110332738
N'-methyl-4-oxo-N'-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)butanehydrazide
CID 44760715
3-(propan-2-ylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 60854319

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]methanesulfonamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]methanesulfonamide (CID 113138133) is N-[2-(dimethylamino)ethyl]-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]methanesulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]methanesulfonamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]methanesulfonamide is CN(C)CCN(CCC(=O)N1CCN(c2ccccn2)CC1)S(C)(=O)=O.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]methanesulfonamide?
The InChIKey is OAADJKGGYUTJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O3S/c1-19(2)10-15-22(26(3,24)25)9-7-17(23)21-13-11-20(12-14-21)16-6-4-5-8-18-16/h4-6,8H,7,9-15H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]methanesulfonamide?
N-[2-(dimethylamino)ethyl]-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]methanesulfonamide has a molecular weight of 383.52 g/mol, XLogP of -0.06, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]methanesulfonamide is sourced from PubChem (CID 113138133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).