N-[4-(hydroxymethyl)oxan-4-yl]-3-methylthiophene-2-carboxamide

C12H17NO3S — CID 113358062

IUPACN-[4-(hydroxymethyl)oxan-4-yl]-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NC1(CO)CCOCC1
InChIInChI=1S/C12H17NO3S/c1-9-2-7-17-10(9)11(15)13-12(8-14)3-5-16-6-4-12/h2,7,14H,3-6,8H2,1H3,(H,13,15)
InChIKeyIRLZSMPCWTYSLE-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.33
Rot. Bonds3

About N-[4-(hydroxymethyl)oxan-4-yl]-3-methylthiophene-2-carboxamide

N-[4-(hydroxymethyl)oxan-4-yl]-3-methylthiophene-2-carboxamide (PubChem CID 113358062) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is N-[4-(hydroxymethyl)oxan-4-yl]-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(hydroxymethyl)oxan-4-yl]-3-methylthiophene-2-carboxamide
PubChem CID113358062
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC NameN-[4-(hydroxymethyl)oxan-4-yl]-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NC1(CO)CCOCC1
InChIInChI=1S/C12H17NO3S/c1-9-2-7-17-10(9)11(15)13-12(8-14)3-5-16-6-4-12/h2,7,14H,3-6,8H2,1H3,(H,13,15)
InChIKeyIRLZSMPCWTYSLE-UHFFFAOYSA-N
XLogP1.33
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(bromomethyl)oxan-4-yl]-3-chlorothiophene-2-carboxamide
CID 106304812
3-bromo-N-[4-(bromomethyl)oxan-4-yl]thiophene-2-carboxamide
CID 106300923
2,6-difluoro-N-[4-(hydroxymethyl)oxan-4-yl]-3-methylbenzamide
CID 106297385
3-chloro-N-[4-(hydroxymethyl)oxan-4-yl]-4-methylbenzamide
CID 103954122
N-[4-(hydroxymethyl)oxan-4-yl]-2,4-dimethylfuran-3-carboxamide
CID 136541245
2-amino-N-[4-(hydroxymethyl)oxan-4-yl]-6-methylbenzamide
CID 106296589
2-bromo-N-[4-(hydroxymethyl)oxan-4-yl]-3-methylbenzamide
CID 104630465
3-bromo-N-[1-(hydroxymethyl)cyclobutyl]thiophene-2-carboxamide
CID 115878426
1-[(3-methylthiophene-2-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 43341633
N-[4-(hydroxymethyl)oxan-4-yl]-4-methyl-1,3-oxazole-5-carboxamide
CID 104630371
N-[4-(hydroxymethyl)oxan-4-yl]-4-methyl-1,2-oxazole-5-carboxamide
CID 113435034
[4-(hydroxymethyl)oxan-4-yl]carbamic acid
CID 68806059

Frequently Asked Questions

What is the IUPAC name of N-[4-(hydroxymethyl)oxan-4-yl]-3-methylthiophene-2-carboxamide?
The IUPAC name of N-[4-(hydroxymethyl)oxan-4-yl]-3-methylthiophene-2-carboxamide (CID 113358062) is N-[4-(hydroxymethyl)oxan-4-yl]-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[4-(hydroxymethyl)oxan-4-yl]-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-[4-(hydroxymethyl)oxan-4-yl]-3-methylthiophene-2-carboxamide is Cc1ccsc1C(=O)NC1(CO)CCOCC1.
What is the InChIKey of N-[4-(hydroxymethyl)oxan-4-yl]-3-methylthiophene-2-carboxamide?
The InChIKey is IRLZSMPCWTYSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-9-2-7-17-10(9)11(15)13-12(8-14)3-5-16-6-4-12/h2,7,14H,3-6,8H2,1H3,(H,13,15).
What are the key properties of N-[4-(hydroxymethyl)oxan-4-yl]-3-methylthiophene-2-carboxamide?
N-[4-(hydroxymethyl)oxan-4-yl]-3-methylthiophene-2-carboxamide has a molecular weight of 255.34 g/mol, XLogP of 1.33, 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]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 113358062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).