2-(ethylsulfonylamino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]ethanesulfonamide

C12H27N3O5S2 — CID 120896619

IUPAC2-(ethylsulfonylamino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCS(=O)(=O)NCC1(COC)CCNCC1
InChIInChI=1S/C12H27N3O5S2/c1-3-21(16,17)14-8-9-22(18,19)15-10-12(11-20-2)4-6-13-7-5-12/h13-15H,3-11H2,1-2H3
InChIKeyFXLITBKOWDDCPB-UHFFFAOYSA-N
MW357.50 g/mol
LogP-1.14
Rot. Bonds10

About 2-(ethylsulfonylamino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]ethanesulfonamide

2-(ethylsulfonylamino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]ethanesulfonamide (PubChem CID 120896619) has the molecular formula C12H27N3O5S2 and a molecular weight of 357.50 g/mol. Its IUPAC name is 2-(ethylsulfonylamino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]ethanesulfonamide.

Molecular Properties

Compound Name2-(ethylsulfonylamino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]ethanesulfonamide
PubChem CID120896619
Molecular FormulaC12H27N3O5S2
Molecular Weight357.50 g/mol
Exact Mass357.14
IUPAC Name2-(ethylsulfonylamino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCS(=O)(=O)NCC1(COC)CCNCC1
InChIInChI=1S/C12H27N3O5S2/c1-3-21(16,17)14-8-9-22(18,19)15-10-12(11-20-2)4-6-13-7-5-12/h13-15H,3-11H2,1-2H3
InChIKeyFXLITBKOWDDCPB-UHFFFAOYSA-N
XLogP-1.14
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 5-1.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]ethanesulfonamide
CID 120896587
2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]ethanesulfonamide;hydrochloride
CID 120896586
2-ethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]ethanesulfonamide
CID 120896019
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-thiophen-2-ylethanesulfonamide
CID 120877176
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]azepane-1-sulfonamide
CID 120896907
1-(2-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]methanesulfonamide;hydrochloride
CID 120896382
4-[[bis(2-methoxyethyl)sulfamoylamino]methyl]-4-(methoxymethyl)piperidine;hydrochloride
CID 120896370
2-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 120895991
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methylsulfonylbenzenesulfonamide
CID 120896801
2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide;hydrochloride
CID 120896450
3,5-difluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 120896329
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]naphthalene-1-sulfonamide;hydrochloride
CID 120896514

Frequently Asked Questions

What is the IUPAC name of 2-(ethylsulfonylamino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]ethanesulfonamide?
The IUPAC name of 2-(ethylsulfonylamino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]ethanesulfonamide (CID 120896619) is 2-(ethylsulfonylamino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]ethanesulfonamide.
What is the SMILES notation for 2-(ethylsulfonylamino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]ethanesulfonamide?
The canonical SMILES for 2-(ethylsulfonylamino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]ethanesulfonamide is CCS(=O)(=O)NCCS(=O)(=O)NCC1(COC)CCNCC1.
What is the InChIKey of 2-(ethylsulfonylamino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]ethanesulfonamide?
The InChIKey is FXLITBKOWDDCPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O5S2/c1-3-21(16,17)14-8-9-22(18,19)15-10-12(11-20-2)4-6-13-7-5-12/h13-15H,3-11H2,1-2H3.
What are the key properties of 2-(ethylsulfonylamino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]ethanesulfonamide?
2-(ethylsulfonylamino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]ethanesulfonamide has a molecular weight of 357.50 g/mol, XLogP of -1.14, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylsulfonylamino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]ethanesulfonamide is sourced from PubChem (CID 120896619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).