5-[[(1-hydroxycyclobutyl)methylamino]methyl]thiophene-2-carbonitrile

C11H14N2OS — CID 115675851

IUPAC5-[[(1-hydroxycyclobutyl)methylamino]methyl]thiophene-2-carbonitrile
SMILESN#Cc1ccc(CNCC2(O)CCC2)s1
InChIInChI=1S/C11H14N2OS/c12-6-9-2-3-10(15-9)7-13-8-11(14)4-1-5-11/h2-3,13-14H,1,4-5,7-8H2
InChIKeySOFDMKSWCRJYCV-UHFFFAOYSA-N
MW222.31 g/mol
LogP1.62
Rot. Bonds4

About 5-[[(1-hydroxycyclobutyl)methylamino]methyl]thiophene-2-carbonitrile

5-[[(1-hydroxycyclobutyl)methylamino]methyl]thiophene-2-carbonitrile (PubChem CID 115675851) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is 5-[[(1-hydroxycyclobutyl)methylamino]methyl]thiophene-2-carbonitrile.

Molecular Properties

Compound Name5-[[(1-hydroxycyclobutyl)methylamino]methyl]thiophene-2-carbonitrile
PubChem CID115675851
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC Name5-[[(1-hydroxycyclobutyl)methylamino]methyl]thiophene-2-carbonitrile
SMILESN#Cc1ccc(CNCC2(O)CCC2)s1
InChIInChI=1S/C11H14N2OS/c12-6-9-2-3-10(15-9)7-13-8-11(14)4-1-5-11/h2-3,13-14H,1,4-5,7-8H2
InChIKeySOFDMKSWCRJYCV-UHFFFAOYSA-N
XLogP1.62
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[[1-(dimethylamino)cyclopentyl]methylamino]methyl]thiophene-2-carbonitrile
CID 113250034
5-[[(1-ethylcyclopropyl)methylamino]methyl]thiophene-2-carbonitrile
CID 103735569
5-[[[1-(hydroxymethyl)cyclohexyl]amino]methyl]thiophene-2-carbonitrile
CID 115909562
5-[(2-bromoprop-2-enylamino)methyl]thiophene-2-carbonitrile
CID 115675820
5-[(2-hydroxypropylamino)methyl]thiophene-2-carbonitrile
CID 115675303
5-[[(2-oxo-2-piperidin-1-ylethyl)amino]methyl]thiophene-2-carbonitrile
CID 115675572
1-[(thiophen-2-ylmethylamino)methyl]cyclobutan-1-ol
CID 115621566
methyl 2-[5-[[(1-hydroxycycloheptyl)methylamino]methyl]thiophen-2-yl]acetate
CID 82887983
5-[[(3-hydroxycyclohexyl)methylamino]methyl]thiophene-2-carbonitrile
CID 103729242
1-[(thiophen-2-ylmethylamino)methyl]cyclopentan-1-ol
CID 63934542
tert-butyl 3-[[(5-cyanothiophen-2-yl)methylamino]methyl]-3-methylpiperidine-1-carboxylate
CID 113415210
5-[(2,2-dicyclopropylethylamino)methyl]thiophene-2-carbonitrile
CID 115675957

Frequently Asked Questions

What is the IUPAC name of 5-[[(1-hydroxycyclobutyl)methylamino]methyl]thiophene-2-carbonitrile?
The IUPAC name of 5-[[(1-hydroxycyclobutyl)methylamino]methyl]thiophene-2-carbonitrile (CID 115675851) is 5-[[(1-hydroxycyclobutyl)methylamino]methyl]thiophene-2-carbonitrile.
What is the SMILES notation for 5-[[(1-hydroxycyclobutyl)methylamino]methyl]thiophene-2-carbonitrile?
The canonical SMILES for 5-[[(1-hydroxycyclobutyl)methylamino]methyl]thiophene-2-carbonitrile is N#Cc1ccc(CNCC2(O)CCC2)s1.
What is the InChIKey of 5-[[(1-hydroxycyclobutyl)methylamino]methyl]thiophene-2-carbonitrile?
The InChIKey is SOFDMKSWCRJYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c12-6-9-2-3-10(15-9)7-13-8-11(14)4-1-5-11/h2-3,13-14H,1,4-5,7-8H2.
What are the key properties of 5-[[(1-hydroxycyclobutyl)methylamino]methyl]thiophene-2-carbonitrile?
5-[[(1-hydroxycyclobutyl)methylamino]methyl]thiophene-2-carbonitrile has a molecular weight of 222.31 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1-hydroxycyclobutyl)methylamino]methyl]thiophene-2-carbonitrile is sourced from PubChem (CID 115675851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).