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

C13H23NO4S — CID 104520487

IUPACN-[[2-(hydroxymethyl)cyclopentyl]methyl]-1,1-dioxothiane-2-carboxamide
SMILESO=C(NCC1CCCC1CO)C1CCCCS1(=O)=O
InChIInChI=1S/C13H23NO4S/c15-9-11-5-3-4-10(11)8-14-13(16)12-6-1-2-7-19(12,17)18/h10-12,15H,1-9H2,(H,14,16)
InChIKeyLIQDBUCBEFODRP-UHFFFAOYSA-N
MW289.40 g/mol
LogP0.48
Rot. Bonds4

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

N-[[2-(hydroxymethyl)cyclopentyl]methyl]-1,1-dioxothiane-2-carboxamide (PubChem CID 104520487) has the molecular formula C13H23NO4S and a molecular weight of 289.40 g/mol. Its IUPAC name is N-[[2-(hydroxymethyl)cyclopentyl]methyl]-1,1-dioxothiane-2-carboxamide.

Molecular Properties

Compound NameN-[[2-(hydroxymethyl)cyclopentyl]methyl]-1,1-dioxothiane-2-carboxamide
PubChem CID104520487
Molecular FormulaC13H23NO4S
Molecular Weight289.40 g/mol
Exact Mass289.13
IUPAC NameN-[[2-(hydroxymethyl)cyclopentyl]methyl]-1,1-dioxothiane-2-carboxamide
SMILESO=C(NCC1CCCC1CO)C1CCCCS1(=O)=O
InChIInChI=1S/C13H23NO4S/c15-9-11-5-3-4-10(11)8-14-13(16)12-6-1-2-7-19(12,17)18/h10-12,15H,1-9H2,(H,14,16)
InChIKeyLIQDBUCBEFODRP-UHFFFAOYSA-N
XLogP0.48
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-aminocyclopentyl)methyl]-1,1-dioxothiane-2-carboxamide
CID 104522509
N-[[2-(hydroxymethyl)cyclopentyl]methyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66478079
N-[(3-methylpiperidin-4-yl)methyl]-1,1-dioxothiane-2-carboxamide
CID 114699924
N-(4-hydroxybutyl)-1,1-dioxothiane-2-carboxamide
CID 106843204
N-(5-hydroxy-4-methylpentyl)-1,1-dioxothiane-2-carboxamide
CID 104920511
N-(2,2-difluoro-3-hydroxypropyl)-1,1-dioxothiane-2-carboxamide
CID 104921175
3-[(1,1-dioxothiane-2-carbonyl)amino]propanoic acid
CID 104517400
N-(2-amino-2-hydroxyiminoethyl)-1,1-dioxothiane-2-carboxamide
CID 104521751
N-(3-chloropropyl)-1,1-dioxothiane-2-carboxamide
CID 104520193
N-(2-amino-2-methylpropyl)-1,1-dioxothiane-2-carboxamide
CID 104520827
2-[[2-(hydroxymethyl)cyclopentyl]methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 113361137
N-[(2R)-2-hydroxypropyl]-1,1-dioxothiolane-2-carboxamide
CID 164654059

Frequently Asked Questions

What is the IUPAC name of N-[[2-(hydroxymethyl)cyclopentyl]methyl]-1,1-dioxothiane-2-carboxamide?
The IUPAC name of N-[[2-(hydroxymethyl)cyclopentyl]methyl]-1,1-dioxothiane-2-carboxamide (CID 104520487) is N-[[2-(hydroxymethyl)cyclopentyl]methyl]-1,1-dioxothiane-2-carboxamide.
What is the SMILES notation for N-[[2-(hydroxymethyl)cyclopentyl]methyl]-1,1-dioxothiane-2-carboxamide?
The canonical SMILES for N-[[2-(hydroxymethyl)cyclopentyl]methyl]-1,1-dioxothiane-2-carboxamide is O=C(NCC1CCCC1CO)C1CCCCS1(=O)=O.
What is the InChIKey of N-[[2-(hydroxymethyl)cyclopentyl]methyl]-1,1-dioxothiane-2-carboxamide?
The InChIKey is LIQDBUCBEFODRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4S/c15-9-11-5-3-4-10(11)8-14-13(16)12-6-1-2-7-19(12,17)18/h10-12,15H,1-9H2,(H,14,16).
What are the key properties of N-[[2-(hydroxymethyl)cyclopentyl]methyl]-1,1-dioxothiane-2-carboxamide?
N-[[2-(hydroxymethyl)cyclopentyl]methyl]-1,1-dioxothiane-2-carboxamide has a molecular weight of 289.40 g/mol, XLogP of 0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(hydroxymethyl)cyclopentyl]methyl]-1,1-dioxothiane-2-carboxamide is sourced from PubChem (CID 104520487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).