4-(ethylaminomethyl)-N,N-bis(2-methoxyethyl)piperidine-1-sulfonamide

C14H31N3O4S — CID 119990745

IUPAC4-(ethylaminomethyl)-N,N-bis(2-methoxyethyl)piperidine-1-sulfonamide
SMILESCCNCC1CCN(S(=O)(=O)N(CCOC)CCOC)CC1
InChIInChI=1S/C14H31N3O4S/c1-4-15-13-14-5-7-16(8-6-14)22(18,19)17(9-11-20-2)10-12-21-3/h14-15H,4-13H2,1-3H3
InChIKeyVGFFRJCFECALKX-UHFFFAOYSA-N
MW337.49 g/mol
LogP0.15
Rot. Bonds11

About 4-(ethylaminomethyl)-N,N-bis(2-methoxyethyl)piperidine-1-sulfonamide

4-(ethylaminomethyl)-N,N-bis(2-methoxyethyl)piperidine-1-sulfonamide (PubChem CID 119990745) has the molecular formula C14H31N3O4S and a molecular weight of 337.49 g/mol. Its IUPAC name is 4-(ethylaminomethyl)-N,N-bis(2-methoxyethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name4-(ethylaminomethyl)-N,N-bis(2-methoxyethyl)piperidine-1-sulfonamide
PubChem CID119990745
Molecular FormulaC14H31N3O4S
Molecular Weight337.49 g/mol
Exact Mass337.20
IUPAC Name4-(ethylaminomethyl)-N,N-bis(2-methoxyethyl)piperidine-1-sulfonamide
SMILESCCNCC1CCN(S(=O)(=O)N(CCOC)CCOC)CC1
InChIInChI=1S/C14H31N3O4S/c1-4-15-13-14-5-7-16(8-6-14)22(18,19)17(9-11-20-2)10-12-21-3/h14-15H,4-13H2,1-3H3
InChIKeyVGFFRJCFECALKX-UHFFFAOYSA-N
XLogP0.15
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-bis(2-methoxyethyl)-4-(methylaminomethyl)piperidine-1-sulfonamide;hydrochloride
CID 119978540
N,N-diethyl-4-(ethylaminomethyl)piperidine-1-sulfonamide
CID 63879312
3-(aminomethyl)-N,N-bis(2-methoxyethyl)pyrrolidine-1-sulfonamide;hydrochloride
CID 119972257
4-(hydroxymethyl)-N-(2-methoxyethyl)-N-prop-2-enylpiperidine-1-sulfonamide
CID 103340553
4-(ethylaminomethyl)-N-(4-methoxybutyl)piperidine-1-sulfonamide
CID 106053929
N-[(1-methylsulfonylpiperidin-4-yl)methyl]ethanamine;hydrochloride
CID 119990361
N-[[1-(1-methoxypropan-2-ylsulfonyl)piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119990322
N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]ethanamine;hydrochloride
CID 119990642
4-(aminomethyl)-N-(2-methoxyethyl)-N-prop-2-enylpiperidine-1-sulfonamide
CID 103340728
N-(2-hydroxyethyl)-N-(2-methoxyethyl)azepane-1-sulfonamide
CID 115754309
N,N-diethyl-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 63248937
2-[2-methoxyethyl(pyrrolidin-1-ylsulfonyl)amino]acetic acid
CID 54969399

Frequently Asked Questions

What is the IUPAC name of 4-(ethylaminomethyl)-N,N-bis(2-methoxyethyl)piperidine-1-sulfonamide?
The IUPAC name of 4-(ethylaminomethyl)-N,N-bis(2-methoxyethyl)piperidine-1-sulfonamide (CID 119990745) is 4-(ethylaminomethyl)-N,N-bis(2-methoxyethyl)piperidine-1-sulfonamide.
What is the SMILES notation for 4-(ethylaminomethyl)-N,N-bis(2-methoxyethyl)piperidine-1-sulfonamide?
The canonical SMILES for 4-(ethylaminomethyl)-N,N-bis(2-methoxyethyl)piperidine-1-sulfonamide is CCNCC1CCN(S(=O)(=O)N(CCOC)CCOC)CC1.
What is the InChIKey of 4-(ethylaminomethyl)-N,N-bis(2-methoxyethyl)piperidine-1-sulfonamide?
The InChIKey is VGFFRJCFECALKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O4S/c1-4-15-13-14-5-7-16(8-6-14)22(18,19)17(9-11-20-2)10-12-21-3/h14-15H,4-13H2,1-3H3.
What are the key properties of 4-(ethylaminomethyl)-N,N-bis(2-methoxyethyl)piperidine-1-sulfonamide?
4-(ethylaminomethyl)-N,N-bis(2-methoxyethyl)piperidine-1-sulfonamide has a molecular weight of 337.49 g/mol, XLogP of 0.15, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylaminomethyl)-N,N-bis(2-methoxyethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 119990745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).