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

C10H17NO2S — CID 66006893

IUPACN-[(3-hydroxycyclobutyl)methyl]thiolane-2-carboxamide
SMILESO=C(NCC1CC(O)C1)C1CCCS1
InChIInChI=1S/C10H17NO2S/c12-8-4-7(5-8)6-11-10(13)9-2-1-3-14-9/h7-9,12H,1-6H2,(H,11,13)
InChIKeyJHGKZMZXUCNNTK-UHFFFAOYSA-N
MW215.32 g/mol
LogP0.77
Rot. Bonds3

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

N-[(3-hydroxycyclobutyl)methyl]thiolane-2-carboxamide (PubChem CID 66006893) has the molecular formula C10H17NO2S and a molecular weight of 215.32 g/mol. Its IUPAC name is N-[(3-hydroxycyclobutyl)methyl]thiolane-2-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclobutyl)methyl]thiolane-2-carboxamide
PubChem CID66006893
Molecular FormulaC10H17NO2S
Molecular Weight215.32 g/mol
Exact Mass215.10
IUPAC NameN-[(3-hydroxycyclobutyl)methyl]thiolane-2-carboxamide
SMILESO=C(NCC1CC(O)C1)C1CCCS1
InChIInChI=1S/C10H17NO2S/c12-8-4-7(5-8)6-11-10(13)9-2-1-3-14-9/h7-9,12H,1-6H2,(H,11,13)
InChIKeyJHGKZMZXUCNNTK-UHFFFAOYSA-N
XLogP0.77
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-hydroxycyclobutyl)methyl]thiane-2-carboxamide
CID 80595405
N-[(3-hydroxycyclohexyl)methyl]thiolane-2-carboxamide
CID 103712034
N-[(3-hydroxycyclopentyl)methyl]thiane-2-carboxamide
CID 103280631
N-[(2-chlorocyclopentyl)methyl]thiolane-2-carboxamide
CID 114303282
2-[(3-hydroxycyclobutyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 66004477
2-[(3-hydroxycyclobutyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103978906
N-[(3-hydroxycyclobutyl)methyl]azetidine-2-carboxamide
CID 127007560
N-(6-hydroxyhexyl)thiolane-2-carboxamide
CID 103919325
3-amino-N-[(3-hydroxycyclobutyl)methyl]cyclohexane-1-carboxamide
CID 66005543
N-[(3-hydroxycyclobutyl)methyl]piperidine-4-carboxamide
CID 66006145
2-hydroxy-4-(thiolane-2-carbonylamino)butanoic acid
CID 107831935
2-(aminomethyl)-N-[(3-hydroxycyclobutyl)methyl]cyclohexane-1-carboxamide
CID 66004226

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclobutyl)methyl]thiolane-2-carboxamide?
The IUPAC name of N-[(3-hydroxycyclobutyl)methyl]thiolane-2-carboxamide (CID 66006893) is N-[(3-hydroxycyclobutyl)methyl]thiolane-2-carboxamide.
What is the SMILES notation for N-[(3-hydroxycyclobutyl)methyl]thiolane-2-carboxamide?
The canonical SMILES for N-[(3-hydroxycyclobutyl)methyl]thiolane-2-carboxamide is O=C(NCC1CC(O)C1)C1CCCS1.
What is the InChIKey of N-[(3-hydroxycyclobutyl)methyl]thiolane-2-carboxamide?
The InChIKey is JHGKZMZXUCNNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2S/c12-8-4-7(5-8)6-11-10(13)9-2-1-3-14-9/h7-9,12H,1-6H2,(H,11,13).
What are the key properties of N-[(3-hydroxycyclobutyl)methyl]thiolane-2-carboxamide?
N-[(3-hydroxycyclobutyl)methyl]thiolane-2-carboxamide has a molecular weight of 215.32 g/mol, XLogP of 0.77, 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]thiolane-2-carboxamide is sourced from PubChem (CID 66006893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).