N-cyclopentyloxy-1,1-dioxothiane-4-sulfonamide

C10H19NO5S2 — CID 83229588

IUPACN-cyclopentyloxy-1,1-dioxothiane-4-sulfonamide
SMILESO=S1(=O)CCC(S(=O)(=O)NOC2CCCC2)CC1
InChIInChI=1S/C10H19NO5S2/c12-17(13)7-5-10(6-8-17)18(14,15)11-16-9-3-1-2-4-9/h9-11H,1-8H2
InChIKeyAQPMIRBVIAWGQK-UHFFFAOYSA-N
MW297.40 g/mol
LogP0.36
Rot. Bonds4

About N-cyclopentyloxy-1,1-dioxothiane-4-sulfonamide

N-cyclopentyloxy-1,1-dioxothiane-4-sulfonamide (PubChem CID 83229588) has the molecular formula C10H19NO5S2 and a molecular weight of 297.40 g/mol. Its IUPAC name is N-cyclopentyloxy-1,1-dioxothiane-4-sulfonamide.

Molecular Properties

Compound NameN-cyclopentyloxy-1,1-dioxothiane-4-sulfonamide
PubChem CID83229588
Molecular FormulaC10H19NO5S2
Molecular Weight297.40 g/mol
Exact Mass297.07
IUPAC NameN-cyclopentyloxy-1,1-dioxothiane-4-sulfonamide
SMILESO=S1(=O)CCC(S(=O)(=O)NOC2CCCC2)CC1
InChIInChI=1S/C10H19NO5S2/c12-17(13)7-5-10(6-8-17)18(14,15)11-16-9-3-1-2-4-9/h9-11H,1-8H2
InChIKeyAQPMIRBVIAWGQK-UHFFFAOYSA-N
XLogP0.36
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-cycloheptyloxyethyl)-1,1-dioxothiane-4-sulfonamide
CID 127332273
N-(2-aminocyclohexyl)-1,1-dioxothiane-4-sulfonamide
CID 62083890
N-(2-bromocyclohexyl)-1,1-dioxothiane-4-sulfonamide
CID 114297372
N-(4-chlorocyclohexyl)-1,1-dioxothiane-4-sulfonamide
CID 65033187
N-ethyl-1,1-dioxothiane-4-sulfonamide
CID 62086014
1,1-dioxo-N-[2-(trifluoromethyl)cyclohexyl]thiane-4-sulfonamide
CID 51133233
N-(2-aminocyclopentyl)-1,1-dioxothiane-4-sulfonamide
CID 63252300
N-[(2R)-2-hydroxypropyl]-1,1-dioxothiane-4-sulfonamide
CID 83030738
N-(2-bromocyclopentyl)-1,1-dioxothiane-4-sulfonamide
CID 80661845
N-(2-bromoethyl)-1,1-dioxothiane-4-sulfonamide
CID 62084947
N-cyclopentyloxy-2-methylpropane-2-sulfonamide
CID 83229785
N-(6-chlorohexyl)-1,1-dioxothiane-4-sulfonamide
CID 107849074

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyloxy-1,1-dioxothiane-4-sulfonamide?
The IUPAC name of N-cyclopentyloxy-1,1-dioxothiane-4-sulfonamide (CID 83229588) is N-cyclopentyloxy-1,1-dioxothiane-4-sulfonamide.
What is the SMILES notation for N-cyclopentyloxy-1,1-dioxothiane-4-sulfonamide?
The canonical SMILES for N-cyclopentyloxy-1,1-dioxothiane-4-sulfonamide is O=S1(=O)CCC(S(=O)(=O)NOC2CCCC2)CC1.
What is the InChIKey of N-cyclopentyloxy-1,1-dioxothiane-4-sulfonamide?
The InChIKey is AQPMIRBVIAWGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO5S2/c12-17(13)7-5-10(6-8-17)18(14,15)11-16-9-3-1-2-4-9/h9-11H,1-8H2.
What are the key properties of N-cyclopentyloxy-1,1-dioxothiane-4-sulfonamide?
N-cyclopentyloxy-1,1-dioxothiane-4-sulfonamide has a molecular weight of 297.40 g/mol, XLogP of 0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyloxy-1,1-dioxothiane-4-sulfonamide is sourced from PubChem (CID 83229588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).