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

C13H23NO4S — CID 104574675

IUPACN-[(1-hydroxycyclopentyl)methyl]-N-methyl-1,1-dioxothiane-2-carboxamide
SMILESCN(CC1(O)CCCC1)C(=O)C1CCCCS1(=O)=O
InChIInChI=1S/C13H23NO4S/c1-14(10-13(16)7-3-4-8-13)12(15)11-6-2-5-9-19(11,17)18/h11,16H,2-10H2,1H3
InChIKeyDZZFQJJTBQRICW-UHFFFAOYSA-N
MW289.40 g/mol
LogP0.72
Rot. Bonds3

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

N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1,1-dioxothiane-2-carboxamide (PubChem CID 104574675) has the molecular formula C13H23NO4S and a molecular weight of 289.40 g/mol. Its IUPAC name is N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1,1-dioxothiane-2-carboxamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclopentyl)methyl]-N-methyl-1,1-dioxothiane-2-carboxamide
PubChem CID104574675
Molecular FormulaC13H23NO4S
Molecular Weight289.40 g/mol
Exact Mass289.13
IUPAC NameN-[(1-hydroxycyclopentyl)methyl]-N-methyl-1,1-dioxothiane-2-carboxamide
SMILESCN(CC1(O)CCCC1)C(=O)C1CCCCS1(=O)=O
InChIInChI=1S/C13H23NO4S/c1-14(10-13(16)7-3-4-8-13)12(15)11-6-2-5-9-19(11,17)18/h11,16H,2-10H2,1H3
InChIKeyDZZFQJJTBQRICW-UHFFFAOYSA-N
XLogP0.72
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1,1-dioxothiane-2-carboxamide?
The IUPAC name of N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1,1-dioxothiane-2-carboxamide (CID 104574675) is N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1,1-dioxothiane-2-carboxamide.
What is the SMILES notation for N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1,1-dioxothiane-2-carboxamide?
The canonical SMILES for N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1,1-dioxothiane-2-carboxamide is CN(CC1(O)CCCC1)C(=O)C1CCCCS1(=O)=O.
What is the InChIKey of N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1,1-dioxothiane-2-carboxamide?
The InChIKey is DZZFQJJTBQRICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4S/c1-14(10-13(16)7-3-4-8-13)12(15)11-6-2-5-9-19(11,17)18/h11,16H,2-10H2,1H3.
What are the key properties of N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1,1-dioxothiane-2-carboxamide?
N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1,1-dioxothiane-2-carboxamide has a molecular weight of 289.40 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1,1-dioxothiane-2-carboxamide is sourced from PubChem (CID 104574675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).