1-(2-ethoxyethylsulfonyl)-3-[(sulfamoylamino)methyl]piperidine

C10H23N3O5S2 — CID 63246538

IUPAC1-(2-ethoxyethylsulfonyl)-3-[(sulfamoylamino)methyl]piperidine
SMILESCCOCCS(=O)(=O)N1CCCC(CNS(N)(=O)=O)C1
InChIInChI=1S/C10H23N3O5S2/c1-2-18-6-7-19(14,15)13-5-3-4-10(9-13)8-12-20(11,16)17/h10,12H,2-9H2,1H3,(H2,11,16,17)
InChIKeyWRGWEARLABDFMZ-UHFFFAOYSA-N
MW329.44 g/mol
LogP-1.14
Rot. Bonds8

About 1-(2-ethoxyethylsulfonyl)-3-[(sulfamoylamino)methyl]piperidine

1-(2-ethoxyethylsulfonyl)-3-[(sulfamoylamino)methyl]piperidine (PubChem CID 63246538) has the molecular formula C10H23N3O5S2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 1-(2-ethoxyethylsulfonyl)-3-[(sulfamoylamino)methyl]piperidine.

Molecular Properties

Compound Name1-(2-ethoxyethylsulfonyl)-3-[(sulfamoylamino)methyl]piperidine
PubChem CID63246538
Molecular FormulaC10H23N3O5S2
Molecular Weight329.44 g/mol
Exact Mass329.11
IUPAC Name1-(2-ethoxyethylsulfonyl)-3-[(sulfamoylamino)methyl]piperidine
SMILESCCOCCS(=O)(=O)N1CCCC(CNS(N)(=O)=O)C1
InChIInChI=1S/C10H23N3O5S2/c1-2-18-6-7-19(14,15)13-5-3-4-10(9-13)8-12-20(11,16)17/h10,12H,2-9H2,1H3,(H2,11,16,17)
InChIKeyWRGWEARLABDFMZ-UHFFFAOYSA-N
XLogP-1.14
TPSA118.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 5-1.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[1-(2-ethoxyethylsulfonyl)piperidin-3-yl]methyl]ethanamine
CID 55258778
2-[[1-(2-ethoxyethylsulfonyl)piperidin-3-yl]methylamino]acetic acid
CID 106813727
1-(3-fluoropropylsulfonyl)-3-[(sulfamoylamino)methyl]piperidine
CID 154789563
1-(3-ethoxypropanoyl)-3-[(sulfamoylamino)methyl]piperidine
CID 55091158
3-bromo-1-(2-ethoxyethylsulfonyl)piperidine
CID 80677126
1-cyclohexylsulfonyl-3-[(sulfamoylamino)methyl]piperidine
CID 61132450
1-[1-(2-ethoxyethylsulfonyl)pyrrolidin-3-yl]ethanol
CID 112627567
1-(2-ethoxyethylsulfonyl)-N-methylpyrrolidin-3-amine
CID 115300302
1-(2-ethoxyethylsulfonyl)piperidin-4-amine;hydrochloride
CID 119959080
N-(2-aminoethyl)-1-(2-ethoxyethylsulfonyl)piperidine-3-carboxamide
CID 63253090
1-(oxan-4-ylsulfonyl)-3-[(sulfamoylamino)methyl]piperidine
CID 62048466
2-[[1-(2-propan-2-yloxyethylsulfonyl)piperidin-3-yl]methylamino]acetic acid
CID 106813767

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethylsulfonyl)-3-[(sulfamoylamino)methyl]piperidine?
The IUPAC name of 1-(2-ethoxyethylsulfonyl)-3-[(sulfamoylamino)methyl]piperidine (CID 63246538) is 1-(2-ethoxyethylsulfonyl)-3-[(sulfamoylamino)methyl]piperidine.
What is the SMILES notation for 1-(2-ethoxyethylsulfonyl)-3-[(sulfamoylamino)methyl]piperidine?
The canonical SMILES for 1-(2-ethoxyethylsulfonyl)-3-[(sulfamoylamino)methyl]piperidine is CCOCCS(=O)(=O)N1CCCC(CNS(N)(=O)=O)C1.
What is the InChIKey of 1-(2-ethoxyethylsulfonyl)-3-[(sulfamoylamino)methyl]piperidine?
The InChIKey is WRGWEARLABDFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O5S2/c1-2-18-6-7-19(14,15)13-5-3-4-10(9-13)8-12-20(11,16)17/h10,12H,2-9H2,1H3,(H2,11,16,17).
What are the key properties of 1-(2-ethoxyethylsulfonyl)-3-[(sulfamoylamino)methyl]piperidine?
1-(2-ethoxyethylsulfonyl)-3-[(sulfamoylamino)methyl]piperidine has a molecular weight of 329.44 g/mol, XLogP of -1.14, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethylsulfonyl)-3-[(sulfamoylamino)methyl]piperidine is sourced from PubChem (CID 63246538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).