N-(1,4-dioxan-2-ylmethyl)-3-(ethylaminomethyl)piperidine-1-sulfonamide

C13H27N3O4S — CID 106016707

IUPACN-(1,4-dioxan-2-ylmethyl)-3-(ethylaminomethyl)piperidine-1-sulfonamide
SMILESCCNCC1CCCN(S(=O)(=O)NCC2COCCO2)C1
InChIInChI=1S/C13H27N3O4S/c1-2-14-8-12-4-3-5-16(10-12)21(17,18)15-9-13-11-19-6-7-20-13/h12-15H,2-11H2,1H3
InChIKeyASMZANOXLHGBKW-UHFFFAOYSA-N
MW321.44 g/mol
LogP-0.44
Rot. Bonds7

About N-(1,4-dioxan-2-ylmethyl)-3-(ethylaminomethyl)piperidine-1-sulfonamide

N-(1,4-dioxan-2-ylmethyl)-3-(ethylaminomethyl)piperidine-1-sulfonamide (PubChem CID 106016707) has the molecular formula C13H27N3O4S and a molecular weight of 321.44 g/mol. Its IUPAC name is N-(1,4-dioxan-2-ylmethyl)-3-(ethylaminomethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(1,4-dioxan-2-ylmethyl)-3-(ethylaminomethyl)piperidine-1-sulfonamide
PubChem CID106016707
Molecular FormulaC13H27N3O4S
Molecular Weight321.44 g/mol
Exact Mass321.17
IUPAC NameN-(1,4-dioxan-2-ylmethyl)-3-(ethylaminomethyl)piperidine-1-sulfonamide
SMILESCCNCC1CCCN(S(=O)(=O)NCC2COCCO2)C1
InChIInChI=1S/C13H27N3O4S/c1-2-14-8-12-4-3-5-16(10-12)21(17,18)15-9-13-11-19-6-7-20-13/h12-15H,2-11H2,1H3
InChIKeyASMZANOXLHGBKW-UHFFFAOYSA-N
XLogP-0.44
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.44
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(oxan-4-ylsulfonyl)piperidin-3-yl]methyl]ethanamine
CID 63880149
N-[(1-morpholin-4-ylsulfonylpiperidin-3-yl)methyl]ethanamine
CID 63880145
3-(methylaminomethyl)-N-(oxan-3-ylmethyl)piperidine-1-sulfonamide
CID 106016509
3-(ethylaminomethyl)-N-(thian-2-ylmethyl)piperidine-1-sulfonamide
CID 106072219
N-(1,4-dioxan-2-ylmethyl)ethanamine
CID 15422769
N-(2-bicyclo[2.2.1]heptanyl)-3-(ethylaminomethyl)piperidine-1-sulfonamide
CID 106067763
N-(1,4,7,10,13-pentaoxacyclopentadec-2-ylmethyl)ethanamine
CID 12820576
N-(cyclopentylmethyl)-4-(ethylaminomethyl)piperidine-1-sulfonamide
CID 106026641
N-(1,4-dioxan-2-ylmethyl)ethanesulfonamide
CID 61063379
N-(1-cyclopropylbutan-2-yl)-3-(ethylaminomethyl)piperidine-1-sulfonamide
CID 106063963
3-(methylaminomethyl)-N-[2-(oxan-2-yl)ethyl]piperidine-1-sulfonamide
CID 106094390
3-(ethylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)piperidine-1-sulfonamide
CID 106016068

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxan-2-ylmethyl)-3-(ethylaminomethyl)piperidine-1-sulfonamide?
The IUPAC name of N-(1,4-dioxan-2-ylmethyl)-3-(ethylaminomethyl)piperidine-1-sulfonamide (CID 106016707) is N-(1,4-dioxan-2-ylmethyl)-3-(ethylaminomethyl)piperidine-1-sulfonamide.
What is the SMILES notation for N-(1,4-dioxan-2-ylmethyl)-3-(ethylaminomethyl)piperidine-1-sulfonamide?
The canonical SMILES for N-(1,4-dioxan-2-ylmethyl)-3-(ethylaminomethyl)piperidine-1-sulfonamide is CCNCC1CCCN(S(=O)(=O)NCC2COCCO2)C1.
What is the InChIKey of N-(1,4-dioxan-2-ylmethyl)-3-(ethylaminomethyl)piperidine-1-sulfonamide?
The InChIKey is ASMZANOXLHGBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O4S/c1-2-14-8-12-4-3-5-16(10-12)21(17,18)15-9-13-11-19-6-7-20-13/h12-15H,2-11H2,1H3.
What are the key properties of N-(1,4-dioxan-2-ylmethyl)-3-(ethylaminomethyl)piperidine-1-sulfonamide?
N-(1,4-dioxan-2-ylmethyl)-3-(ethylaminomethyl)piperidine-1-sulfonamide has a molecular weight of 321.44 g/mol, XLogP of -0.44, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxan-2-ylmethyl)-3-(ethylaminomethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 106016707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).