4-(ethylaminomethyl)-N-(1-methoxypentan-2-yl)piperidine-1-sulfonamide

C14H31N3O3S — CID 106068439

IUPAC4-(ethylaminomethyl)-N-(1-methoxypentan-2-yl)piperidine-1-sulfonamide
SMILESCCCC(COC)NS(=O)(=O)N1CCC(CNCC)CC1
InChIInChI=1S/C14H31N3O3S/c1-4-6-14(12-20-3)16-21(18,19)17-9-7-13(8-10-17)11-15-5-2/h13-16H,4-12H2,1-3H3
InChIKeyQIVBDWGVPGTGRO-UHFFFAOYSA-N
MW321.49 g/mol
LogP0.96
Rot. Bonds10

About 4-(ethylaminomethyl)-N-(1-methoxypentan-2-yl)piperidine-1-sulfonamide

4-(ethylaminomethyl)-N-(1-methoxypentan-2-yl)piperidine-1-sulfonamide (PubChem CID 106068439) has the molecular formula C14H31N3O3S and a molecular weight of 321.49 g/mol. Its IUPAC name is 4-(ethylaminomethyl)-N-(1-methoxypentan-2-yl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name4-(ethylaminomethyl)-N-(1-methoxypentan-2-yl)piperidine-1-sulfonamide
PubChem CID106068439
Molecular FormulaC14H31N3O3S
Molecular Weight321.49 g/mol
Exact Mass321.21
IUPAC Name4-(ethylaminomethyl)-N-(1-methoxypentan-2-yl)piperidine-1-sulfonamide
SMILESCCCC(COC)NS(=O)(=O)N1CCC(CNCC)CC1
InChIInChI=1S/C14H31N3O3S/c1-4-6-14(12-20-3)16-21(18,19)17-9-7-13(8-10-17)11-15-5-2/h13-16H,4-12H2,1-3H3
InChIKeyQIVBDWGVPGTGRO-UHFFFAOYSA-N
XLogP0.96
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.49
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(1-methoxypropan-2-ylsulfonyl)piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119990322
methyl 1-[(4-hydroxy-1-methoxybutan-2-yl)sulfamoyl]piperidine-4-carboxylate
CID 103887524
4-(ethylaminomethyl)-N-(4-methoxybutyl)piperidine-1-sulfonamide
CID 106053929
N-(cyclopentylmethyl)-4-(ethylaminomethyl)piperidine-1-sulfonamide
CID 106026641
N-(1-cyclopropylbutan-2-yl)-3-(ethylaminomethyl)piperidine-1-sulfonamide
CID 106063963
N-[(1-methylsulfonylpiperidin-4-yl)methyl]ethanamine;hydrochloride
CID 119990361
4-(ethylaminomethyl)-N,N-bis(2-methoxyethyl)piperidine-1-sulfonamide
CID 119990745
N-[2-(dimethylamino)propyl]-4-(ethylaminomethyl)piperidine-1-sulfonamide
CID 106017143
4-(ethylaminomethyl)-N-(2-methoxy-2-methylpropyl)piperidine-1-sulfonamide
CID 106079875
N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]ethanamine;hydrochloride
CID 119990642
N-[(1-butylsulfonylpiperidin-4-yl)methyl]ethanamine
CID 63878962
1-(octan-4-ylsulfamoyl)piperidine-4-carboxylic acid
CID 106019200

Frequently Asked Questions

What is the IUPAC name of 4-(ethylaminomethyl)-N-(1-methoxypentan-2-yl)piperidine-1-sulfonamide?
The IUPAC name of 4-(ethylaminomethyl)-N-(1-methoxypentan-2-yl)piperidine-1-sulfonamide (CID 106068439) is 4-(ethylaminomethyl)-N-(1-methoxypentan-2-yl)piperidine-1-sulfonamide.
What is the SMILES notation for 4-(ethylaminomethyl)-N-(1-methoxypentan-2-yl)piperidine-1-sulfonamide?
The canonical SMILES for 4-(ethylaminomethyl)-N-(1-methoxypentan-2-yl)piperidine-1-sulfonamide is CCCC(COC)NS(=O)(=O)N1CCC(CNCC)CC1.
What is the InChIKey of 4-(ethylaminomethyl)-N-(1-methoxypentan-2-yl)piperidine-1-sulfonamide?
The InChIKey is QIVBDWGVPGTGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O3S/c1-4-6-14(12-20-3)16-21(18,19)17-9-7-13(8-10-17)11-15-5-2/h13-16H,4-12H2,1-3H3.
What are the key properties of 4-(ethylaminomethyl)-N-(1-methoxypentan-2-yl)piperidine-1-sulfonamide?
4-(ethylaminomethyl)-N-(1-methoxypentan-2-yl)piperidine-1-sulfonamide has a molecular weight of 321.49 g/mol, XLogP of 0.96, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylaminomethyl)-N-(1-methoxypentan-2-yl)piperidine-1-sulfonamide is sourced from PubChem (CID 106068439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).