N-[(3-hydroxycyclobutyl)methyl]thiane-2-carboxamide

C11H19NO2S — CID 80595405

IUPACN-[(3-hydroxycyclobutyl)methyl]thiane-2-carboxamide
SMILESO=C(NCC1CC(O)C1)C1CCCCS1
InChIInChI=1S/C11H19NO2S/c13-9-5-8(6-9)7-12-11(14)10-3-1-2-4-15-10/h8-10,13H,1-7H2,(H,12,14)
InChIKeyYIABNIPSUQGMHX-UHFFFAOYSA-N
MW229.34 g/mol
LogP1.16
Rot. Bonds3

About N-[(3-hydroxycyclobutyl)methyl]thiane-2-carboxamide

N-[(3-hydroxycyclobutyl)methyl]thiane-2-carboxamide (PubChem CID 80595405) has the molecular formula C11H19NO2S and a molecular weight of 229.34 g/mol. Its IUPAC name is N-[(3-hydroxycyclobutyl)methyl]thiane-2-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclobutyl)methyl]thiane-2-carboxamide
PubChem CID80595405
Molecular FormulaC11H19NO2S
Molecular Weight229.34 g/mol
Exact Mass229.11
IUPAC NameN-[(3-hydroxycyclobutyl)methyl]thiane-2-carboxamide
SMILESO=C(NCC1CC(O)C1)C1CCCCS1
InChIInChI=1S/C11H19NO2S/c13-9-5-8(6-9)7-12-11(14)10-3-1-2-4-15-10/h8-10,13H,1-7H2,(H,12,14)
InChIKeyYIABNIPSUQGMHX-UHFFFAOYSA-N
XLogP1.16
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-hydroxycyclobutyl)methyl]thiolane-2-carboxamide
CID 66006893
N-[(3-hydroxycyclopentyl)methyl]thiane-2-carboxamide
CID 103280631
N-[(3-hydroxycyclohexyl)methyl]thiolane-2-carboxamide
CID 103712034
2-[(3-hydroxycyclobutyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 66004477
N-(3-hydroxypropyl)thiane-2-carboxamide
CID 80595762
N-butylthiane-2-carboxamide
CID 110848251
N-(4-chlorobutyl)thiane-2-carboxamide
CID 106845450
2-[(3-hydroxycyclobutyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103978906
N-[(2-chlorocyclopentyl)methyl]thiolane-2-carboxamide
CID 114303282
2-(aminomethyl)-N-[(3-hydroxycyclobutyl)methyl]cyclohexane-1-carboxamide
CID 66004226
N-[(3-hydroxycyclobutyl)methyl]azetidine-2-carboxamide
CID 127007560
N-(2-hydroxy-2-methylbutyl)thiane-2-carboxamide
CID 80595877

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclobutyl)methyl]thiane-2-carboxamide?
The IUPAC name of N-[(3-hydroxycyclobutyl)methyl]thiane-2-carboxamide (CID 80595405) is N-[(3-hydroxycyclobutyl)methyl]thiane-2-carboxamide.
What is the SMILES notation for N-[(3-hydroxycyclobutyl)methyl]thiane-2-carboxamide?
The canonical SMILES for N-[(3-hydroxycyclobutyl)methyl]thiane-2-carboxamide is O=C(NCC1CC(O)C1)C1CCCCS1.
What is the InChIKey of N-[(3-hydroxycyclobutyl)methyl]thiane-2-carboxamide?
The InChIKey is YIABNIPSUQGMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2S/c13-9-5-8(6-9)7-12-11(14)10-3-1-2-4-15-10/h8-10,13H,1-7H2,(H,12,14).
What are the key properties of N-[(3-hydroxycyclobutyl)methyl]thiane-2-carboxamide?
N-[(3-hydroxycyclobutyl)methyl]thiane-2-carboxamide has a molecular weight of 229.34 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclobutyl)methyl]thiane-2-carboxamide is sourced from PubChem (CID 80595405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).