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

C11H22N2O4S2 — CID 62083890

IUPACN-(2-aminocyclohexyl)-1,1-dioxothiane-4-sulfonamide
SMILESNC1CCCCC1NS(=O)(=O)C1CCS(=O)(=O)CC1
InChIInChI=1S/C11H22N2O4S2/c12-10-3-1-2-4-11(10)13-19(16,17)9-5-7-18(14,15)8-6-9/h9-11,13H,1-8,12H2
InChIKeyOTTMJZDAHBUQCX-UHFFFAOYSA-N
MW310.44 g/mol
LogP-0.25
Rot. Bonds3

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

N-(2-aminocyclohexyl)-1,1-dioxothiane-4-sulfonamide (PubChem CID 62083890) has the molecular formula C11H22N2O4S2 and a molecular weight of 310.44 g/mol. Its IUPAC name is N-(2-aminocyclohexyl)-1,1-dioxothiane-4-sulfonamide.

Molecular Properties

Compound NameN-(2-aminocyclohexyl)-1,1-dioxothiane-4-sulfonamide
PubChem CID62083890
Molecular FormulaC11H22N2O4S2
Molecular Weight310.44 g/mol
Exact Mass310.10
IUPAC NameN-(2-aminocyclohexyl)-1,1-dioxothiane-4-sulfonamide
SMILESNC1CCCCC1NS(=O)(=O)C1CCS(=O)(=O)CC1
InChIInChI=1S/C11H22N2O4S2/c12-10-3-1-2-4-11(10)13-19(16,17)9-5-7-18(14,15)8-6-9/h9-11,13H,1-8,12H2
InChIKeyOTTMJZDAHBUQCX-UHFFFAOYSA-N
XLogP-0.25
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-aminocyclopentyl)-1,1-dioxothiane-4-sulfonamide
CID 63252300
N-(2-aminocyclopentyl)-1,1-dioxothiolane-3-sulfonamide
CID 63251989
N-(2-bromocyclohexyl)-1,1-dioxothiane-4-sulfonamide
CID 114297372
1,1-dioxo-N-[2-(trifluoromethyl)cyclohexyl]thiane-4-sulfonamide
CID 51133233
N-(2-bromocyclopentyl)-1,1-dioxothiane-4-sulfonamide
CID 80661845
N-(4-methylpyrrolidin-3-yl)-1,1-dioxothiane-4-sulfonamide
CID 104826101
N-(4-chlorocyclohexyl)-1,1-dioxothiane-4-sulfonamide
CID 65033187
N-cyclopentyloxy-1,1-dioxothiane-4-sulfonamide
CID 83229588
N-(2-aminocyclohexyl)-1,1,1-trichloromethanesulfonamide
CID 18350596
1,1-dioxo-N-[(3R)-pyrrolidin-3-yl]thiane-4-sulfonamide
CID 79686071
N-[(1R,2R)-2-aminocyclohexyl]propane-1-sulfonamide
CID 93452968
N-(2-aminocyclohexyl)-1-cycloheptylmethanesulfonamide
CID 59537369

Frequently Asked Questions

What is the IUPAC name of N-(2-aminocyclohexyl)-1,1-dioxothiane-4-sulfonamide?
The IUPAC name of N-(2-aminocyclohexyl)-1,1-dioxothiane-4-sulfonamide (CID 62083890) is N-(2-aminocyclohexyl)-1,1-dioxothiane-4-sulfonamide.
What is the SMILES notation for N-(2-aminocyclohexyl)-1,1-dioxothiane-4-sulfonamide?
The canonical SMILES for N-(2-aminocyclohexyl)-1,1-dioxothiane-4-sulfonamide is NC1CCCCC1NS(=O)(=O)C1CCS(=O)(=O)CC1.
What is the InChIKey of N-(2-aminocyclohexyl)-1,1-dioxothiane-4-sulfonamide?
The InChIKey is OTTMJZDAHBUQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4S2/c12-10-3-1-2-4-11(10)13-19(16,17)9-5-7-18(14,15)8-6-9/h9-11,13H,1-8,12H2.
What are the key properties of N-(2-aminocyclohexyl)-1,1-dioxothiane-4-sulfonamide?
N-(2-aminocyclohexyl)-1,1-dioxothiane-4-sulfonamide has a molecular weight of 310.44 g/mol, XLogP of -0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocyclohexyl)-1,1-dioxothiane-4-sulfonamide is sourced from PubChem (CID 62083890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).