5-[(oxolan-3-ylmethylamino)methyl]thiophene-3-carbonitrile

C11H14N2OS — CID 79545727

IUPAC5-[(oxolan-3-ylmethylamino)methyl]thiophene-3-carbonitrile
SMILESN#Cc1csc(CNCC2CCOC2)c1
InChIInChI=1S/C11H14N2OS/c12-4-10-3-11(15-8-10)6-13-5-9-1-2-14-7-9/h3,8-9,13H,1-2,5-7H2
InChIKeyGLYQIWXHGVAGHL-UHFFFAOYSA-N
MW222.31 g/mol
LogP1.75
Rot. Bonds4

About 5-[(oxolan-3-ylmethylamino)methyl]thiophene-3-carbonitrile

5-[(oxolan-3-ylmethylamino)methyl]thiophene-3-carbonitrile (PubChem CID 79545727) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is 5-[(oxolan-3-ylmethylamino)methyl]thiophene-3-carbonitrile.

Molecular Properties

Compound Name5-[(oxolan-3-ylmethylamino)methyl]thiophene-3-carbonitrile
PubChem CID79545727
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC Name5-[(oxolan-3-ylmethylamino)methyl]thiophene-3-carbonitrile
SMILESN#Cc1csc(CNCC2CCOC2)c1
InChIInChI=1S/C11H14N2OS/c12-4-10-3-11(15-8-10)6-13-5-9-1-2-14-7-9/h3,8-9,13H,1-2,5-7H2
InChIKeyGLYQIWXHGVAGHL-UHFFFAOYSA-N
XLogP1.75
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorothiophen-2-yl)methyl]-1-(oxan-3-yl)methanamine
CID 79419740
5-[(oxan-4-ylamino)methyl]thiophene-3-carbonitrile
CID 79553461
5-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]thiophene-3-carbonitrile
CID 79614229
5-[(2-cyclohexylethylamino)methyl]thiophene-3-carbonitrile
CID 79544754
5-[[(1,1-dioxothiolan-2-yl)methylamino]methyl]thiophene-3-carbonitrile
CID 81038446
5-[(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethylamino)methyl]thiophene-3-carbonitrile
CID 128967292
5-[[3-(cyclopropylmethoxy)propylamino]methyl]thiophene-3-carbonitrile
CID 79544824
5-[(sulfanylamino)methyl]thiophene-3-carbonitrile
CID 163226439
3-(oxolan-3-ylmethylamino)propanenitrile
CID 43207692
5-[(2,2-difluoroethylamino)methyl]thiophene-3-carbonitrile
CID 115405928
2-[4-[(oxolan-3-ylmethylamino)methyl]phenoxy]acetonitrile
CID 54931993
3-(oxolan-3-ylmethylamino)benzonitrile
CID 43194445

Frequently Asked Questions

What is the IUPAC name of 5-[(oxolan-3-ylmethylamino)methyl]thiophene-3-carbonitrile?
The IUPAC name of 5-[(oxolan-3-ylmethylamino)methyl]thiophene-3-carbonitrile (CID 79545727) is 5-[(oxolan-3-ylmethylamino)methyl]thiophene-3-carbonitrile.
What is the SMILES notation for 5-[(oxolan-3-ylmethylamino)methyl]thiophene-3-carbonitrile?
The canonical SMILES for 5-[(oxolan-3-ylmethylamino)methyl]thiophene-3-carbonitrile is N#Cc1csc(CNCC2CCOC2)c1.
What is the InChIKey of 5-[(oxolan-3-ylmethylamino)methyl]thiophene-3-carbonitrile?
The InChIKey is GLYQIWXHGVAGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c12-4-10-3-11(15-8-10)6-13-5-9-1-2-14-7-9/h3,8-9,13H,1-2,5-7H2.
What are the key properties of 5-[(oxolan-3-ylmethylamino)methyl]thiophene-3-carbonitrile?
5-[(oxolan-3-ylmethylamino)methyl]thiophene-3-carbonitrile has a molecular weight of 222.31 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(oxolan-3-ylmethylamino)methyl]thiophene-3-carbonitrile is sourced from PubChem (CID 79545727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).