4-(ethylaminomethyl)-N-(2-methoxy-2-methylpropyl)piperidine-1-sulfonamide

C13H29N3O3S — CID 106079875

IUPAC4-(ethylaminomethyl)-N-(2-methoxy-2-methylpropyl)piperidine-1-sulfonamide
SMILESCCNCC1CCN(S(=O)(=O)NCC(C)(C)OC)CC1
InChIInChI=1S/C13H29N3O3S/c1-5-14-10-12-6-8-16(9-7-12)20(17,18)15-11-13(2,3)19-4/h12,14-15H,5-11H2,1-4H3
InChIKeyCENJPFVCBUKCEE-UHFFFAOYSA-N
MW307.46 g/mol
LogP0.57
Rot. Bonds8

About 4-(ethylaminomethyl)-N-(2-methoxy-2-methylpropyl)piperidine-1-sulfonamide

4-(ethylaminomethyl)-N-(2-methoxy-2-methylpropyl)piperidine-1-sulfonamide (PubChem CID 106079875) has the molecular formula C13H29N3O3S and a molecular weight of 307.46 g/mol. Its IUPAC name is 4-(ethylaminomethyl)-N-(2-methoxy-2-methylpropyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name4-(ethylaminomethyl)-N-(2-methoxy-2-methylpropyl)piperidine-1-sulfonamide
PubChem CID106079875
Molecular FormulaC13H29N3O3S
Molecular Weight307.46 g/mol
Exact Mass307.19
IUPAC Name4-(ethylaminomethyl)-N-(2-methoxy-2-methylpropyl)piperidine-1-sulfonamide
SMILESCCNCC1CCN(S(=O)(=O)NCC(C)(C)OC)CC1
InChIInChI=1S/C13H29N3O3S/c1-5-14-10-12-6-8-16(9-7-12)20(17,18)15-11-13(2,3)19-4/h12,14-15H,5-11H2,1-4H3
InChIKeyCENJPFVCBUKCEE-UHFFFAOYSA-N
XLogP0.57
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopentylmethyl)-4-(ethylaminomethyl)piperidine-1-sulfonamide
CID 106026641
N-(2,2-dimethylbutyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 103465953
4-(ethylaminomethyl)-N-(4-methoxybutyl)piperidine-1-sulfonamide
CID 106053929
4-(ethylaminomethyl)-N-[(1-methoxycyclobutyl)methyl]piperidine-1-sulfonamide
CID 106090911
N-[2-(dimethylamino)propyl]-4-(ethylaminomethyl)piperidine-1-sulfonamide
CID 106017143
methyl 2-[1-(ethylsulfamoyl)piperidin-4-yl]acetate
CID 58553182
N-[(1-methylsulfonylpiperidin-4-yl)methyl]ethanamine;hydrochloride
CID 119990361
4-[(cyclopropylamino)methyl]-N-(2,2-dimethylbutyl)piperidine-1-sulfonamide
CID 103466066
N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]ethanamine;hydrochloride
CID 119990642
4-(ethylaminomethyl)-N-(1-methoxypentan-2-yl)piperidine-1-sulfonamide
CID 106068439
N-[[1-(4-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119990742
N-[[1-(cyclopropylmethylsulfonyl)piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119998792

Frequently Asked Questions

What is the IUPAC name of 4-(ethylaminomethyl)-N-(2-methoxy-2-methylpropyl)piperidine-1-sulfonamide?
The IUPAC name of 4-(ethylaminomethyl)-N-(2-methoxy-2-methylpropyl)piperidine-1-sulfonamide (CID 106079875) is 4-(ethylaminomethyl)-N-(2-methoxy-2-methylpropyl)piperidine-1-sulfonamide.
What is the SMILES notation for 4-(ethylaminomethyl)-N-(2-methoxy-2-methylpropyl)piperidine-1-sulfonamide?
The canonical SMILES for 4-(ethylaminomethyl)-N-(2-methoxy-2-methylpropyl)piperidine-1-sulfonamide is CCNCC1CCN(S(=O)(=O)NCC(C)(C)OC)CC1.
What is the InChIKey of 4-(ethylaminomethyl)-N-(2-methoxy-2-methylpropyl)piperidine-1-sulfonamide?
The InChIKey is CENJPFVCBUKCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O3S/c1-5-14-10-12-6-8-16(9-7-12)20(17,18)15-11-13(2,3)19-4/h12,14-15H,5-11H2,1-4H3.
What are the key properties of 4-(ethylaminomethyl)-N-(2-methoxy-2-methylpropyl)piperidine-1-sulfonamide?
4-(ethylaminomethyl)-N-(2-methoxy-2-methylpropyl)piperidine-1-sulfonamide has a molecular weight of 307.46 g/mol, XLogP of 0.57, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylaminomethyl)-N-(2-methoxy-2-methylpropyl)piperidine-1-sulfonamide is sourced from PubChem (CID 106079875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).