N-(2-aminocycloheptyl)-1,1-dioxothiolane-3-carboxamide

C12H22N2O3S — CID 63257894

IUPACN-(2-aminocycloheptyl)-1,1-dioxothiolane-3-carboxamide
SMILESNC1CCCCCC1NC(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C12H22N2O3S/c13-10-4-2-1-3-5-11(10)14-12(15)9-6-7-18(16,17)8-9/h9-11H,1-8,13H2,(H,14,15)
InChIKeyHLRNDOAGQYPMEY-UHFFFAOYSA-N
MW274.39 g/mol
LogP0.20
Rot. Bonds2

About N-(2-aminocycloheptyl)-1,1-dioxothiolane-3-carboxamide

N-(2-aminocycloheptyl)-1,1-dioxothiolane-3-carboxamide (PubChem CID 63257894) has the molecular formula C12H22N2O3S and a molecular weight of 274.39 g/mol. Its IUPAC name is N-(2-aminocycloheptyl)-1,1-dioxothiolane-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminocycloheptyl)-1,1-dioxothiolane-3-carboxamide
PubChem CID63257894
Molecular FormulaC12H22N2O3S
Molecular Weight274.39 g/mol
Exact Mass274.14
IUPAC NameN-(2-aminocycloheptyl)-1,1-dioxothiolane-3-carboxamide
SMILESNC1CCCCCC1NC(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C12H22N2O3S/c13-10-4-2-1-3-5-11(10)14-12(15)9-6-7-18(16,17)8-9/h9-11H,1-8,13H2,(H,14,15)
InChIKeyHLRNDOAGQYPMEY-UHFFFAOYSA-N
XLogP0.20
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chlorocyclopentyl)-1,1-dioxothiolane-3-carboxamide
CID 106443963
N-(2-aminocyclopentyl)cyclopentanecarboxamide
CID 63251373
N-(2-aminocycloheptyl)oxane-4-carboxamide
CID 63258152
N-cyclopentyloxy-1,1-dioxothiolane-3-carboxamide
CID 83201861
N-[(3S,4S)-4-(cyclohexanecarbonylamino)-1,1-dioxothiolan-3-yl]cyclohexanecarboxamide
CID 100825397
3-[(1,1-dioxothiolane-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 66032305
N-(4-hydroxycyclohexyl)-1,1-dioxothiolane-3-carboxamide
CID 43392962
N-(2-aminocyclopropyl)cyclohexanecarboxamide
CID 43593715
N-(4-chloro-1,1-dioxothiolan-3-yl)cyclooctanecarboxamide
CID 113290261
N-[2-(cyclooctanecarbonylamino)cyclohexyl]cyclooctanecarboxamide
CID 171722262
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-1,1-dioxothiolane-3-carboxamide
CID 66213275
(2S)-N-(2-aminocycloheptyl)oxolane-2-carboxamide
CID 104856246

Frequently Asked Questions

What is the IUPAC name of N-(2-aminocycloheptyl)-1,1-dioxothiolane-3-carboxamide?
The IUPAC name of N-(2-aminocycloheptyl)-1,1-dioxothiolane-3-carboxamide (CID 63257894) is N-(2-aminocycloheptyl)-1,1-dioxothiolane-3-carboxamide.
What is the SMILES notation for N-(2-aminocycloheptyl)-1,1-dioxothiolane-3-carboxamide?
The canonical SMILES for N-(2-aminocycloheptyl)-1,1-dioxothiolane-3-carboxamide is NC1CCCCCC1NC(=O)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(2-aminocycloheptyl)-1,1-dioxothiolane-3-carboxamide?
The InChIKey is HLRNDOAGQYPMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3S/c13-10-4-2-1-3-5-11(10)14-12(15)9-6-7-18(16,17)8-9/h9-11H,1-8,13H2,(H,14,15).
What are the key properties of N-(2-aminocycloheptyl)-1,1-dioxothiolane-3-carboxamide?
N-(2-aminocycloheptyl)-1,1-dioxothiolane-3-carboxamide has a molecular weight of 274.39 g/mol, XLogP of 0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocycloheptyl)-1,1-dioxothiolane-3-carboxamide is sourced from PubChem (CID 63257894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).