N-[4-(hydroxymethyl)oxan-4-yl]thiolane-3-carboxamide

C11H19NO3S — CID 104630422

IUPACN-[4-(hydroxymethyl)oxan-4-yl]thiolane-3-carboxamide
SMILESO=C(NC1(CO)CCOCC1)C1CCSC1
InChIInChI=1S/C11H19NO3S/c13-8-11(2-4-15-5-3-11)12-10(14)9-1-6-16-7-9/h9,13H,1-8H2,(H,12,14)
InChIKeyXPIDVPYBMLXYIK-UHFFFAOYSA-N
MW245.34 g/mol
LogP0.40
Rot. Bonds3

About N-[4-(hydroxymethyl)oxan-4-yl]thiolane-3-carboxamide

N-[4-(hydroxymethyl)oxan-4-yl]thiolane-3-carboxamide (PubChem CID 104630422) has the molecular formula C11H19NO3S and a molecular weight of 245.34 g/mol. Its IUPAC name is N-[4-(hydroxymethyl)oxan-4-yl]thiolane-3-carboxamide.

Molecular Properties

Compound NameN-[4-(hydroxymethyl)oxan-4-yl]thiolane-3-carboxamide
PubChem CID104630422
Molecular FormulaC11H19NO3S
Molecular Weight245.34 g/mol
Exact Mass245.11
IUPAC NameN-[4-(hydroxymethyl)oxan-4-yl]thiolane-3-carboxamide
SMILESO=C(NC1(CO)CCOCC1)C1CCSC1
InChIInChI=1S/C11H19NO3S/c13-8-11(2-4-15-5-3-11)12-10(14)9-1-6-16-7-9/h9,13H,1-8H2,(H,12,14)
InChIKeyXPIDVPYBMLXYIK-UHFFFAOYSA-N
XLogP0.40
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.34
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(chloromethyl)oxan-4-yl]thiolane-3-carboxamide
CID 106300810
4-amino-N-[4-(hydroxymethyl)oxan-4-yl]cyclohexane-1-carboxamide
CID 106298573
1-acetyl-N-[4-(hydroxymethyl)oxan-4-yl]piperidine-4-carboxamide
CID 104630361
2-cyclopropyl-N-[4-(hydroxymethyl)oxan-4-yl]acetamide
CID 104630587
2-[[4-(hydroxymethyl)oxan-4-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 106296956
(2R)-N-[4-(hydroxymethyl)oxan-4-yl]oxolane-2-carboxamide
CID 104630614
[4-(hydroxymethyl)oxan-4-yl]carbamic acid
CID 68806059
N-[4-(hydroxymethyl)oxan-4-yl]-2,3-dihydro-1H-indene-2-carboxamide
CID 106704048
N-[[1-(hydroxymethyl)cyclopentyl]methyl]thiolane-3-carboxamide
CID 115362677
N-[1-(hydroxymethyl)cyclobutyl]cyclopropanecarboxamide
CID 115878461
N-[4-(hydroxymethyl)oxan-4-yl]-2-methylpyrrolidine-3-carboxamide
CID 106298994
N-[4-(hydroxymethyl)oxan-4-yl]-1-methylpyrrolidine-2-carboxamide
CID 136531054

Frequently Asked Questions

What is the IUPAC name of N-[4-(hydroxymethyl)oxan-4-yl]thiolane-3-carboxamide?
The IUPAC name of N-[4-(hydroxymethyl)oxan-4-yl]thiolane-3-carboxamide (CID 104630422) is N-[4-(hydroxymethyl)oxan-4-yl]thiolane-3-carboxamide.
What is the SMILES notation for N-[4-(hydroxymethyl)oxan-4-yl]thiolane-3-carboxamide?
The canonical SMILES for N-[4-(hydroxymethyl)oxan-4-yl]thiolane-3-carboxamide is O=C(NC1(CO)CCOCC1)C1CCSC1.
What is the InChIKey of N-[4-(hydroxymethyl)oxan-4-yl]thiolane-3-carboxamide?
The InChIKey is XPIDVPYBMLXYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3S/c13-8-11(2-4-15-5-3-11)12-10(14)9-1-6-16-7-9/h9,13H,1-8H2,(H,12,14).
What are the key properties of N-[4-(hydroxymethyl)oxan-4-yl]thiolane-3-carboxamide?
N-[4-(hydroxymethyl)oxan-4-yl]thiolane-3-carboxamide has a molecular weight of 245.34 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hydroxymethyl)oxan-4-yl]thiolane-3-carboxamide is sourced from PubChem (CID 104630422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).