N-[(2-aminocyclopentyl)methyl]-1,1-dioxothiane-2-carboxamide

C12H22N2O3S — CID 104522509

IUPACN-[(2-aminocyclopentyl)methyl]-1,1-dioxothiane-2-carboxamide
SMILESNC1CCCC1CNC(=O)C1CCCCS1(=O)=O
InChIInChI=1S/C12H22N2O3S/c13-10-5-3-4-9(10)8-14-12(15)11-6-1-2-7-18(11,16)17/h9-11H,1-8,13H2,(H,14,15)
InChIKeyVYMKLXVABCRSRJ-UHFFFAOYSA-N
MW274.39 g/mol
LogP0.20
Rot. Bonds3

About N-[(2-aminocyclopentyl)methyl]-1,1-dioxothiane-2-carboxamide

N-[(2-aminocyclopentyl)methyl]-1,1-dioxothiane-2-carboxamide (PubChem CID 104522509) has the molecular formula C12H22N2O3S and a molecular weight of 274.39 g/mol. Its IUPAC name is N-[(2-aminocyclopentyl)methyl]-1,1-dioxothiane-2-carboxamide.

Molecular Properties

Compound NameN-[(2-aminocyclopentyl)methyl]-1,1-dioxothiane-2-carboxamide
PubChem CID104522509
Molecular FormulaC12H22N2O3S
Molecular Weight274.39 g/mol
Exact Mass274.14
IUPAC NameN-[(2-aminocyclopentyl)methyl]-1,1-dioxothiane-2-carboxamide
SMILESNC1CCCC1CNC(=O)C1CCCCS1(=O)=O
InChIInChI=1S/C12H22N2O3S/c13-10-5-3-4-9(10)8-14-12(15)11-6-1-2-7-18(11,16)17/h9-11H,1-8,13H2,(H,14,15)
InChIKeyVYMKLXVABCRSRJ-UHFFFAOYSA-N
XLogP0.20
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
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-(hydroxymethyl)cyclopentyl]methyl]-1,1-dioxothiane-2-carboxamide
CID 104520487
N-(2-amino-2-hydroxyiminoethyl)-1,1-dioxothiane-2-carboxamide
CID 104521751
N-[(3-methylpiperidin-4-yl)methyl]-1,1-dioxothiane-2-carboxamide
CID 114699924
N-(2-amino-2-methylpropyl)-1,1-dioxothiane-2-carboxamide
CID 104520827
3-[(1,1-dioxothiane-2-carbonyl)amino]propanoic acid
CID 104517400
N-[(2-aminocyclopentyl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 115737026
N-[(2-aminocyclohexyl)methyl]-2-cyclobutylacetamide
CID 103166988
N-(3-chloropropyl)-1,1-dioxothiane-2-carboxamide
CID 104520193
N-(4-hydroxybutyl)-1,1-dioxothiane-2-carboxamide
CID 106843204
N-[(2-aminocyclohexyl)methyl]-2-methylcyclopropane-1-carboxamide
CID 64928230
N-(2,2-difluoro-3-hydroxypropyl)-1,1-dioxothiane-2-carboxamide
CID 104921175
1,1-dioxo-N-(3-sulfamoylpropyl)thiane-2-carboxamide
CID 104521843

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminocyclopentyl)methyl]-1,1-dioxothiane-2-carboxamide?
The IUPAC name of N-[(2-aminocyclopentyl)methyl]-1,1-dioxothiane-2-carboxamide (CID 104522509) is N-[(2-aminocyclopentyl)methyl]-1,1-dioxothiane-2-carboxamide.
What is the SMILES notation for N-[(2-aminocyclopentyl)methyl]-1,1-dioxothiane-2-carboxamide?
The canonical SMILES for N-[(2-aminocyclopentyl)methyl]-1,1-dioxothiane-2-carboxamide is NC1CCCC1CNC(=O)C1CCCCS1(=O)=O.
What is the InChIKey of N-[(2-aminocyclopentyl)methyl]-1,1-dioxothiane-2-carboxamide?
The InChIKey is VYMKLXVABCRSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3S/c13-10-5-3-4-9(10)8-14-12(15)11-6-1-2-7-18(11,16)17/h9-11H,1-8,13H2,(H,14,15).
What are the key properties of N-[(2-aminocyclopentyl)methyl]-1,1-dioxothiane-2-carboxamide?
N-[(2-aminocyclopentyl)methyl]-1,1-dioxothiane-2-carboxamide has a molecular weight of 274.39 g/mol, XLogP of 0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminocyclopentyl)methyl]-1,1-dioxothiane-2-carboxamide is sourced from PubChem (CID 104522509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).