thiophene-2-carbonitrile;1-thiophen-2-ylcyclopropan-1-amine

C12H12N2S2 — CID 159599390

IUPACthiophene-2-carbonitrile;1-thiophen-2-ylcyclopropan-1-amine
SMILESN#Cc1cccs1.NC1(c2cccs2)CC1
InChIInChI=1S/C7H9NS.C5H3NS/c8-7(3-4-7)6-2-1-5-9-6;6-4-5-2-1-3-7-5/h1-2,5H,3-4,8H2;1-3H
InChIKeyMLGTXXCWCJLMMQ-UHFFFAOYSA-N
MW248.38 g/mol
LogP3.32
Rot. Bonds1

About thiophene-2-carbonitrile;1-thiophen-2-ylcyclopropan-1-amine

thiophene-2-carbonitrile;1-thiophen-2-ylcyclopropan-1-amine (PubChem CID 159599390) has the molecular formula C12H12N2S2 and a molecular weight of 248.38 g/mol. Its IUPAC name is thiophene-2-carbonitrile;1-thiophen-2-ylcyclopropan-1-amine.

Molecular Properties

Compound Namethiophene-2-carbonitrile;1-thiophen-2-ylcyclopropan-1-amine
PubChem CID159599390
Molecular FormulaC12H12N2S2
Molecular Weight248.38 g/mol
Exact Mass248.04
IUPAC Namethiophene-2-carbonitrile;1-thiophen-2-ylcyclopropan-1-amine
SMILESN#Cc1cccs1.NC1(c2cccs2)CC1
InChIInChI=1S/C7H9NS.C5H3NS/c8-7(3-4-7)6-2-1-5-9-6;6-4-5-2-1-3-7-5/h1-2,5H,3-4,8H2;1-3H
InChIKeyMLGTXXCWCJLMMQ-UHFFFAOYSA-N
XLogP3.32
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.38
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 143604797
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CID 131566372
thiophene;thiophene-2-carbonitrile
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3-thiophen-2-yloxetan-3-amine
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N'-hydroxythiophene-2-carboximidamide;thiophene-2-carbonitrile
CID 172953513
1-methyl-4-thiophen-2-ylpiperidine-4-carbonitrile
CID 59443916
3,3-dimethyl-1-thiophen-2-ylcyclobutane-1-carbonitrile
CID 64999992
5-thiophen-2-ylthiophene-2-carbonitrile
CID 2739839
1-thiophen-2-ylcyclopropane-1-carbothioamide
CID 112707006
2-(1-bicyclo[2.2.2]octanyl)thiophene
CID 140617889
1-thiophen-2-ylcycloheptan-1-ol
CID 61103027

Frequently Asked Questions

What is the IUPAC name of thiophene-2-carbonitrile;1-thiophen-2-ylcyclopropan-1-amine?
The IUPAC name of thiophene-2-carbonitrile;1-thiophen-2-ylcyclopropan-1-amine (CID 159599390) is thiophene-2-carbonitrile;1-thiophen-2-ylcyclopropan-1-amine.
What is the SMILES notation for thiophene-2-carbonitrile;1-thiophen-2-ylcyclopropan-1-amine?
The canonical SMILES for thiophene-2-carbonitrile;1-thiophen-2-ylcyclopropan-1-amine is N#Cc1cccs1.NC1(c2cccs2)CC1.
What is the InChIKey of thiophene-2-carbonitrile;1-thiophen-2-ylcyclopropan-1-amine?
The InChIKey is MLGTXXCWCJLMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NS.C5H3NS/c8-7(3-4-7)6-2-1-5-9-6;6-4-5-2-1-3-7-5/h1-2,5H,3-4,8H2;1-3H.
What are the key properties of thiophene-2-carbonitrile;1-thiophen-2-ylcyclopropan-1-amine?
thiophene-2-carbonitrile;1-thiophen-2-ylcyclopropan-1-amine has a molecular weight of 248.38 g/mol, XLogP of 3.32, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for thiophene-2-carbonitrile;1-thiophen-2-ylcyclopropan-1-amine is sourced from PubChem (CID 159599390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).