5-[[[1-(hydroxymethyl)cyclopropyl]amino]methyl]thiophene-3-carbonitrile

C10H12N2OS — CID 115763203

IUPAC5-[[[1-(hydroxymethyl)cyclopropyl]amino]methyl]thiophene-3-carbonitrile
SMILESN#Cc1csc(CNC2(CO)CC2)c1
InChIInChI=1S/C10H12N2OS/c11-4-8-3-9(14-6-8)5-12-10(7-13)1-2-10/h3,6,12-13H,1-2,5,7H2
InChIKeyKSPNBYBIDORICV-UHFFFAOYSA-N
MW208.29 g/mol
LogP1.23
Rot. Bonds4

About 5-[[[1-(hydroxymethyl)cyclopropyl]amino]methyl]thiophene-3-carbonitrile

5-[[[1-(hydroxymethyl)cyclopropyl]amino]methyl]thiophene-3-carbonitrile (PubChem CID 115763203) has the molecular formula C10H12N2OS and a molecular weight of 208.29 g/mol. Its IUPAC name is 5-[[[1-(hydroxymethyl)cyclopropyl]amino]methyl]thiophene-3-carbonitrile.

Molecular Properties

Compound Name5-[[[1-(hydroxymethyl)cyclopropyl]amino]methyl]thiophene-3-carbonitrile
PubChem CID115763203
Molecular FormulaC10H12N2OS
Molecular Weight208.29 g/mol
Exact Mass208.07
IUPAC Name5-[[[1-(hydroxymethyl)cyclopropyl]amino]methyl]thiophene-3-carbonitrile
SMILESN#Cc1csc(CNC2(CO)CC2)c1
InChIInChI=1S/C10H12N2OS/c11-4-8-3-9(14-6-8)5-12-10(7-13)1-2-10/h3,6,12-13H,1-2,5,7H2
InChIKeyKSPNBYBIDORICV-UHFFFAOYSA-N
XLogP1.23
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[[1-(hydroxymethyl)cyclopropyl]amino]methyl]thiophene-3-carbonitrile?
The IUPAC name of 5-[[[1-(hydroxymethyl)cyclopropyl]amino]methyl]thiophene-3-carbonitrile (CID 115763203) is 5-[[[1-(hydroxymethyl)cyclopropyl]amino]methyl]thiophene-3-carbonitrile.
What is the SMILES notation for 5-[[[1-(hydroxymethyl)cyclopropyl]amino]methyl]thiophene-3-carbonitrile?
The canonical SMILES for 5-[[[1-(hydroxymethyl)cyclopropyl]amino]methyl]thiophene-3-carbonitrile is N#Cc1csc(CNC2(CO)CC2)c1.
What is the InChIKey of 5-[[[1-(hydroxymethyl)cyclopropyl]amino]methyl]thiophene-3-carbonitrile?
The InChIKey is KSPNBYBIDORICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS/c11-4-8-3-9(14-6-8)5-12-10(7-13)1-2-10/h3,6,12-13H,1-2,5,7H2.
What are the key properties of 5-[[[1-(hydroxymethyl)cyclopropyl]amino]methyl]thiophene-3-carbonitrile?
5-[[[1-(hydroxymethyl)cyclopropyl]amino]methyl]thiophene-3-carbonitrile has a molecular weight of 208.29 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[1-(hydroxymethyl)cyclopropyl]amino]methyl]thiophene-3-carbonitrile is sourced from PubChem (CID 115763203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).