N,N-diethyl-2-[3-(methylamino)piperidin-1-yl]-2-oxoethanesulfonamide

C12H25N3O3S — CID 119493899

IUPACN,N-diethyl-2-[3-(methylamino)piperidin-1-yl]-2-oxoethanesulfonamide
SMILESCCN(CC)S(=O)(=O)CC(=O)N1CCCC(NC)C1
InChIInChI=1S/C12H25N3O3S/c1-4-15(5-2)19(17,18)10-12(16)14-8-6-7-11(9-14)13-3/h11,13H,4-10H2,1-3H3
InChIKeyMOLLNYVHVPDQFW-UHFFFAOYSA-N
MW291.42 g/mol
LogP-0.13
Rot. Bonds6

About N,N-diethyl-2-[3-(methylamino)piperidin-1-yl]-2-oxoethanesulfonamide

N,N-diethyl-2-[3-(methylamino)piperidin-1-yl]-2-oxoethanesulfonamide (PubChem CID 119493899) has the molecular formula C12H25N3O3S and a molecular weight of 291.42 g/mol. Its IUPAC name is N,N-diethyl-2-[3-(methylamino)piperidin-1-yl]-2-oxoethanesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-2-[3-(methylamino)piperidin-1-yl]-2-oxoethanesulfonamide
PubChem CID119493899
Molecular FormulaC12H25N3O3S
Molecular Weight291.42 g/mol
Exact Mass291.16
IUPAC NameN,N-diethyl-2-[3-(methylamino)piperidin-1-yl]-2-oxoethanesulfonamide
SMILESCCN(CC)S(=O)(=O)CC(=O)N1CCCC(NC)C1
InChIInChI=1S/C12H25N3O3S/c1-4-15(5-2)19(17,18)10-12(16)14-8-6-7-11(9-14)13-3/h11,13H,4-10H2,1-3H3
InChIKeyMOLLNYVHVPDQFW-UHFFFAOYSA-N
XLogP-0.13
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-aminopiperidin-1-yl)-N,N-diethyl-2-oxoethanesulfonamide;hydrochloride
CID 119381858
N-methyl-N-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]ethanesulfonamide
CID 119489915
1-[(3S)-3-(methylamino)piperidin-1-yl]propan-1-one
CID 94475711
2-chloro-1-[(3R)-3-(methylamino)piperidin-1-yl]ethanone
CID 58168404
N-methyl-N-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]methanesulfonamide;hydrochloride
CID 119491039
N,N-diethyl-4-[3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]benzenesulfonamide;hydrochloride
CID 119489192
1-[3-(methylamino)pyrrolidin-1-yl]-2-methylsulfonylethanone
CID 81466280
2-cyclopentyl-1-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119260330
2-cyclobutyl-1-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119488548
2-[(4-bromophenyl)methylsulfonyl]-1-[3-(methylamino)piperidin-1-yl]ethanone
CID 119492699
4-[3-(methylamino)piperidin-1-yl]-4-oxo-N,N-dipropylbutanamide
CID 119487968
3,3,3-trifluoro-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119490768

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[3-(methylamino)piperidin-1-yl]-2-oxoethanesulfonamide?
The IUPAC name of N,N-diethyl-2-[3-(methylamino)piperidin-1-yl]-2-oxoethanesulfonamide (CID 119493899) is N,N-diethyl-2-[3-(methylamino)piperidin-1-yl]-2-oxoethanesulfonamide.
What is the SMILES notation for N,N-diethyl-2-[3-(methylamino)piperidin-1-yl]-2-oxoethanesulfonamide?
The canonical SMILES for N,N-diethyl-2-[3-(methylamino)piperidin-1-yl]-2-oxoethanesulfonamide is CCN(CC)S(=O)(=O)CC(=O)N1CCCC(NC)C1.
What is the InChIKey of N,N-diethyl-2-[3-(methylamino)piperidin-1-yl]-2-oxoethanesulfonamide?
The InChIKey is MOLLNYVHVPDQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O3S/c1-4-15(5-2)19(17,18)10-12(16)14-8-6-7-11(9-14)13-3/h11,13H,4-10H2,1-3H3.
What are the key properties of N,N-diethyl-2-[3-(methylamino)piperidin-1-yl]-2-oxoethanesulfonamide?
N,N-diethyl-2-[3-(methylamino)piperidin-1-yl]-2-oxoethanesulfonamide has a molecular weight of 291.42 g/mol, XLogP of -0.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[3-(methylamino)piperidin-1-yl]-2-oxoethanesulfonamide is sourced from PubChem (CID 119493899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).