N,N-diethyl-4-(ethylaminomethyl)piperidine-1-sulfonamide

C12H27N3O2S — CID 63879312

IUPACN,N-diethyl-4-(ethylaminomethyl)piperidine-1-sulfonamide
SMILESCCNCC1CCN(S(=O)(=O)N(CC)CC)CC1
InChIInChI=1S/C12H27N3O2S/c1-4-13-11-12-7-9-15(10-8-12)18(16,17)14(5-2)6-3/h12-13H,4-11H2,1-3H3
InChIKeyVMUCIDGJZRZYTI-UHFFFAOYSA-N
MW277.43 g/mol
LogP0.89
Rot. Bonds7

About N,N-diethyl-4-(ethylaminomethyl)piperidine-1-sulfonamide

N,N-diethyl-4-(ethylaminomethyl)piperidine-1-sulfonamide (PubChem CID 63879312) has the molecular formula C12H27N3O2S and a molecular weight of 277.43 g/mol. Its IUPAC name is N,N-diethyl-4-(ethylaminomethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-4-(ethylaminomethyl)piperidine-1-sulfonamide
PubChem CID63879312
Molecular FormulaC12H27N3O2S
Molecular Weight277.43 g/mol
Exact Mass277.18
IUPAC NameN,N-diethyl-4-(ethylaminomethyl)piperidine-1-sulfonamide
SMILESCCNCC1CCN(S(=O)(=O)N(CC)CC)CC1
InChIInChI=1S/C12H27N3O2S/c1-4-13-11-12-7-9-15(10-8-12)18(16,17)14(5-2)6-3/h12-13H,4-11H2,1-3H3
InChIKeyVMUCIDGJZRZYTI-UHFFFAOYSA-N
XLogP0.89
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 63248937
4-(ethylaminomethyl)-N,N-bis(2-methoxyethyl)piperidine-1-sulfonamide
CID 119990745
4-[(tert-butylamino)methyl]-N,N-diethylpiperidine-1-sulfonamide
CID 63878404
N-[(1-methylsulfonylpiperidin-4-yl)methyl]ethanamine;hydrochloride
CID 119990361
N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]ethanamine;hydrochloride
CID 119990642
N-[[1-(cyclopropylmethylsulfonyl)piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119998792
N-[[1-(4-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119990742
N-[(1-butylsulfonylpiperidin-4-yl)methyl]ethanamine
CID 63878962
N-(cyclopentylmethyl)-4-(ethylaminomethyl)piperidine-1-sulfonamide
CID 106026641
(3S)-N,N-diethyl-3-hydroxypyrrolidine-1-sulfonamide
CID 79031251
N-[2-(dimethylamino)propyl]-4-(ethylaminomethyl)piperidine-1-sulfonamide
CID 106017143
N-[[1-(2-methylpyrazol-3-yl)sulfonylpiperidin-4-yl]methyl]ethanamine
CID 104710312

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(ethylaminomethyl)piperidine-1-sulfonamide?
The IUPAC name of N,N-diethyl-4-(ethylaminomethyl)piperidine-1-sulfonamide (CID 63879312) is N,N-diethyl-4-(ethylaminomethyl)piperidine-1-sulfonamide.
What is the SMILES notation for N,N-diethyl-4-(ethylaminomethyl)piperidine-1-sulfonamide?
The canonical SMILES for N,N-diethyl-4-(ethylaminomethyl)piperidine-1-sulfonamide is CCNCC1CCN(S(=O)(=O)N(CC)CC)CC1.
What is the InChIKey of N,N-diethyl-4-(ethylaminomethyl)piperidine-1-sulfonamide?
The InChIKey is VMUCIDGJZRZYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O2S/c1-4-13-11-12-7-9-15(10-8-12)18(16,17)14(5-2)6-3/h12-13H,4-11H2,1-3H3.
What are the key properties of N,N-diethyl-4-(ethylaminomethyl)piperidine-1-sulfonamide?
N,N-diethyl-4-(ethylaminomethyl)piperidine-1-sulfonamide has a molecular weight of 277.43 g/mol, XLogP of 0.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(ethylaminomethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 63879312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).