N-(2-amino-1-cyclopentylethyl)-1,1-dioxothiane-2-carboxamide

C13H24N2O3S — CID 106737660

IUPACN-(2-amino-1-cyclopentylethyl)-1,1-dioxothiane-2-carboxamide
SMILESNCC(NC(=O)C1CCCCS1(=O)=O)C1CCCC1
InChIInChI=1S/C13H24N2O3S/c14-9-11(10-5-1-2-6-10)15-13(16)12-7-3-4-8-19(12,17)18/h10-12H,1-9,14H2,(H,15,16)
InChIKeyHNTTVLBBDFXVJD-UHFFFAOYSA-N
MW288.41 g/mol
LogP0.59
Rot. Bonds4

About N-(2-amino-1-cyclopentylethyl)-1,1-dioxothiane-2-carboxamide

N-(2-amino-1-cyclopentylethyl)-1,1-dioxothiane-2-carboxamide (PubChem CID 106737660) has the molecular formula C13H24N2O3S and a molecular weight of 288.41 g/mol. Its IUPAC name is N-(2-amino-1-cyclopentylethyl)-1,1-dioxothiane-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopentylethyl)-1,1-dioxothiane-2-carboxamide
PubChem CID106737660
Molecular FormulaC13H24N2O3S
Molecular Weight288.41 g/mol
Exact Mass288.15
IUPAC NameN-(2-amino-1-cyclopentylethyl)-1,1-dioxothiane-2-carboxamide
SMILESNCC(NC(=O)C1CCCCS1(=O)=O)C1CCCC1
InChIInChI=1S/C13H24N2O3S/c14-9-11(10-5-1-2-6-10)15-13(16)12-7-3-4-8-19(12,17)18/h10-12H,1-9,14H2,(H,15,16)
InChIKeyHNTTVLBBDFXVJD-UHFFFAOYSA-N
XLogP0.59
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-4-methylpentan-3-yl)-1,1-dioxothiane-2-carboxamide
CID 114178123
N-(2-amino-1-cyclopentylethyl)bicyclo[3.1.0]hexane-3-carboxamide
CID 106737463
N-(2-amino-1-cyclohexylethyl)-1-methylpiperidine-4-carboxamide
CID 119591982
N-(2-amino-1-cyclohexylethyl)-4-methylcyclohexane-1-carboxamide
CID 81485419
N-(1-amino-1-hydroxyiminobutan-2-yl)-1,1-dioxothiane-2-carboxamide
CID 104521741
N-(1-hydroxypentan-3-yl)-1,1-dioxothiane-2-carboxamide
CID 113428473
2-[(2-amino-1-cyclohexylethyl)amino]-2-oxoacetic acid
CID 119035659
N-(2-amino-2-hydroxyiminoethyl)-1,1-dioxothiane-2-carboxamide
CID 104521751
N-(2-amino-1-cyclopentylethyl)-2,2,2-trifluoroacetamide
CID 106737372
N-(2-amino-2-methylpropyl)-1,1-dioxothiane-2-carboxamide
CID 104520827
N-(1-amino-2,4-dimethylpentan-2-yl)-1,1-dioxothiane-2-carboxamide
CID 104520835
N-(2-amino-1-cyclopentylethyl)-3-methylbutanamide
CID 106737373

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopentylethyl)-1,1-dioxothiane-2-carboxamide?
The IUPAC name of N-(2-amino-1-cyclopentylethyl)-1,1-dioxothiane-2-carboxamide (CID 106737660) is N-(2-amino-1-cyclopentylethyl)-1,1-dioxothiane-2-carboxamide.
What is the SMILES notation for N-(2-amino-1-cyclopentylethyl)-1,1-dioxothiane-2-carboxamide?
The canonical SMILES for N-(2-amino-1-cyclopentylethyl)-1,1-dioxothiane-2-carboxamide is NCC(NC(=O)C1CCCCS1(=O)=O)C1CCCC1.
What is the InChIKey of N-(2-amino-1-cyclopentylethyl)-1,1-dioxothiane-2-carboxamide?
The InChIKey is HNTTVLBBDFXVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3S/c14-9-11(10-5-1-2-6-10)15-13(16)12-7-3-4-8-19(12,17)18/h10-12H,1-9,14H2,(H,15,16).
What are the key properties of N-(2-amino-1-cyclopentylethyl)-1,1-dioxothiane-2-carboxamide?
N-(2-amino-1-cyclopentylethyl)-1,1-dioxothiane-2-carboxamide has a molecular weight of 288.41 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopentylethyl)-1,1-dioxothiane-2-carboxamide is sourced from PubChem (CID 106737660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).