1-(oxan-4-ylsulfonyl)-3-[(sulfamoylamino)methyl]piperidine

C11H23N3O5S2 — CID 62048466

IUPAC1-(oxan-4-ylsulfonyl)-3-[(sulfamoylamino)methyl]piperidine
SMILESNS(=O)(=O)NCC1CCCN(S(=O)(=O)C2CCOCC2)C1
InChIInChI=1S/C11H23N3O5S2/c12-21(17,18)13-8-10-2-1-5-14(9-10)20(15,16)11-3-6-19-7-4-11/h10-11,13H,1-9H2,(H2,12,17,18)
InChIKeyDNYYYZVKHGMMRC-UHFFFAOYSA-N
MW341.46 g/mol
LogP-1.00
Rot. Bonds5

About 1-(oxan-4-ylsulfonyl)-3-[(sulfamoylamino)methyl]piperidine

1-(oxan-4-ylsulfonyl)-3-[(sulfamoylamino)methyl]piperidine (PubChem CID 62048466) has the molecular formula C11H23N3O5S2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 1-(oxan-4-ylsulfonyl)-3-[(sulfamoylamino)methyl]piperidine.

Molecular Properties

Compound Name1-(oxan-4-ylsulfonyl)-3-[(sulfamoylamino)methyl]piperidine
PubChem CID62048466
Molecular FormulaC11H23N3O5S2
Molecular Weight341.46 g/mol
Exact Mass341.11
IUPAC Name1-(oxan-4-ylsulfonyl)-3-[(sulfamoylamino)methyl]piperidine
SMILESNS(=O)(=O)NCC1CCCN(S(=O)(=O)C2CCOCC2)C1
InChIInChI=1S/C11H23N3O5S2/c12-21(17,18)13-8-10-2-1-5-14(9-10)20(15,16)11-3-6-19-7-4-11/h10-11,13H,1-9H2,(H2,12,17,18)
InChIKeyDNYYYZVKHGMMRC-UHFFFAOYSA-N
XLogP-1.00
TPSA118.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclohexylsulfonyl-3-[(sulfamoylamino)methyl]piperidine
CID 61132450
N-[[1-(oxan-4-ylsulfonyl)piperidin-3-yl]methyl]propan-2-amine
CID 63241472
N-[[1-(oxan-4-ylsulfonyl)piperidin-3-yl]methyl]ethanamine
CID 63880149
2-methyl-N-[[1-(oxan-4-ylsulfonyl)piperidin-3-yl]methyl]propan-1-amine
CID 63878590
2-methoxy-N-[[1-(oxan-4-ylsulfonyl)piperidin-3-yl]methyl]ethanamine
CID 63880331
1-(3-fluoropropylsulfonyl)-3-[(sulfamoylamino)methyl]piperidine
CID 154789563
1-(1-cyclopentylsulfonylpiperidin-3-yl)-N-methylmethanamine
CID 115752117
1-(2-ethoxyethylsulfonyl)-3-[(sulfamoylamino)methyl]piperidine
CID 63246538
1-cyclopropylsulfonyl-3-(methoxymethyl)piperidine
CID 121092342
(3R)-1-cyclopropylsulfonylpiperidin-3-amine
CID 95378411
1-(oxane-2-carbonyl)-3-[(sulfamoylamino)methyl]piperidine
CID 62213043
1-(2-cyclobutylacetyl)-3-[(sulfamoylamino)methyl]piperidine
CID 113244692

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-ylsulfonyl)-3-[(sulfamoylamino)methyl]piperidine?
The IUPAC name of 1-(oxan-4-ylsulfonyl)-3-[(sulfamoylamino)methyl]piperidine (CID 62048466) is 1-(oxan-4-ylsulfonyl)-3-[(sulfamoylamino)methyl]piperidine.
What is the SMILES notation for 1-(oxan-4-ylsulfonyl)-3-[(sulfamoylamino)methyl]piperidine?
The canonical SMILES for 1-(oxan-4-ylsulfonyl)-3-[(sulfamoylamino)methyl]piperidine is NS(=O)(=O)NCC1CCCN(S(=O)(=O)C2CCOCC2)C1.
What is the InChIKey of 1-(oxan-4-ylsulfonyl)-3-[(sulfamoylamino)methyl]piperidine?
The InChIKey is DNYYYZVKHGMMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O5S2/c12-21(17,18)13-8-10-2-1-5-14(9-10)20(15,16)11-3-6-19-7-4-11/h10-11,13H,1-9H2,(H2,12,17,18).
What are the key properties of 1-(oxan-4-ylsulfonyl)-3-[(sulfamoylamino)methyl]piperidine?
1-(oxan-4-ylsulfonyl)-3-[(sulfamoylamino)methyl]piperidine has a molecular weight of 341.46 g/mol, XLogP of -1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-ylsulfonyl)-3-[(sulfamoylamino)methyl]piperidine is sourced from PubChem (CID 62048466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).