N-(2-bromocyclopentyl)-1,1-dioxothiane-4-sulfonamide

C10H18BrNO4S2 — CID 80661845

IUPACN-(2-bromocyclopentyl)-1,1-dioxothiane-4-sulfonamide
SMILESO=S1(=O)CCC(S(=O)(=O)NC2CCCC2Br)CC1
InChIInChI=1S/C10H18BrNO4S2/c11-9-2-1-3-10(9)12-18(15,16)8-4-6-17(13,14)7-5-8/h8-10,12H,1-7H2
InChIKeyQCZXZMNAJZWRFG-UHFFFAOYSA-N
MW360.30 g/mol
LogP0.80
Rot. Bonds3

About N-(2-bromocyclopentyl)-1,1-dioxothiane-4-sulfonamide

N-(2-bromocyclopentyl)-1,1-dioxothiane-4-sulfonamide (PubChem CID 80661845) has the molecular formula C10H18BrNO4S2 and a molecular weight of 360.30 g/mol. Its IUPAC name is N-(2-bromocyclopentyl)-1,1-dioxothiane-4-sulfonamide.

Molecular Properties

Compound NameN-(2-bromocyclopentyl)-1,1-dioxothiane-4-sulfonamide
PubChem CID80661845
Molecular FormulaC10H18BrNO4S2
Molecular Weight360.30 g/mol
Exact Mass358.99
IUPAC NameN-(2-bromocyclopentyl)-1,1-dioxothiane-4-sulfonamide
SMILESO=S1(=O)CCC(S(=O)(=O)NC2CCCC2Br)CC1
InChIInChI=1S/C10H18BrNO4S2/c11-9-2-1-3-10(9)12-18(15,16)8-4-6-17(13,14)7-5-8/h8-10,12H,1-7H2
InChIKeyQCZXZMNAJZWRFG-UHFFFAOYSA-N
XLogP0.80
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.30
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromocyclohexyl)-1,1-dioxothiane-4-sulfonamide
CID 114297372
N-(2-aminocyclopentyl)-1,1-dioxothiane-4-sulfonamide
CID 63252300
N-(2-aminocyclohexyl)-1,1-dioxothiane-4-sulfonamide
CID 62083890
1,1-dioxo-N-[2-(trifluoromethyl)cyclohexyl]thiane-4-sulfonamide
CID 51133233
N-(2-aminocyclopentyl)-1,1-dioxothiolane-3-sulfonamide
CID 63251989
N-(4-methylpyrrolidin-3-yl)-1,1-dioxothiane-4-sulfonamide
CID 104826101
N-(4-chlorocyclohexyl)-1,1-dioxothiane-4-sulfonamide
CID 65033187
1,1-dioxo-N-[(3R)-pyrrolidin-3-yl]thiane-4-sulfonamide
CID 79686071
N-(2-bromocyclopentyl)propane-1-sulfonamide
CID 80661645
N-(2-bromoethyl)-1,1-dioxothiane-4-sulfonamide
CID 62084947
N-cyclopentyloxy-1,1-dioxothiane-4-sulfonamide
CID 83229588
N-ethyl-1,1-dioxothiane-4-sulfonamide
CID 62086014

Frequently Asked Questions

What is the IUPAC name of N-(2-bromocyclopentyl)-1,1-dioxothiane-4-sulfonamide?
The IUPAC name of N-(2-bromocyclopentyl)-1,1-dioxothiane-4-sulfonamide (CID 80661845) is N-(2-bromocyclopentyl)-1,1-dioxothiane-4-sulfonamide.
What is the SMILES notation for N-(2-bromocyclopentyl)-1,1-dioxothiane-4-sulfonamide?
The canonical SMILES for N-(2-bromocyclopentyl)-1,1-dioxothiane-4-sulfonamide is O=S1(=O)CCC(S(=O)(=O)NC2CCCC2Br)CC1.
What is the InChIKey of N-(2-bromocyclopentyl)-1,1-dioxothiane-4-sulfonamide?
The InChIKey is QCZXZMNAJZWRFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrNO4S2/c11-9-2-1-3-10(9)12-18(15,16)8-4-6-17(13,14)7-5-8/h8-10,12H,1-7H2.
What are the key properties of N-(2-bromocyclopentyl)-1,1-dioxothiane-4-sulfonamide?
N-(2-bromocyclopentyl)-1,1-dioxothiane-4-sulfonamide has a molecular weight of 360.30 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromocyclopentyl)-1,1-dioxothiane-4-sulfonamide is sourced from PubChem (CID 80661845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).