3-amino-5-[cyclopentylmethyl(methyl)amino]-4-propan-2-yloxythiophene-2-carbonitrile

C15H23N3OS — CID 103422148

IUPAC3-amino-5-[cyclopentylmethyl(methyl)amino]-4-propan-2-yloxythiophene-2-carbonitrile
SMILESCC(C)Oc1c(N(C)CC2CCCC2)sc(C#N)c1N
InChIInChI=1S/C15H23N3OS/c1-10(2)19-14-13(17)12(8-16)20-15(14)18(3)9-11-6-4-5-7-11/h10-11H,4-7,9,17H2,1-3H3
InChIKeyLORFOESFHINNCI-UHFFFAOYSA-N
MW293.44 g/mol
LogP3.62
Rot. Bonds5

About 3-amino-5-[cyclopentylmethyl(methyl)amino]-4-propan-2-yloxythiophene-2-carbonitrile

3-amino-5-[cyclopentylmethyl(methyl)amino]-4-propan-2-yloxythiophene-2-carbonitrile (PubChem CID 103422148) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is 3-amino-5-[cyclopentylmethyl(methyl)amino]-4-propan-2-yloxythiophene-2-carbonitrile.

Molecular Properties

Compound Name3-amino-5-[cyclopentylmethyl(methyl)amino]-4-propan-2-yloxythiophene-2-carbonitrile
PubChem CID103422148
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC Name3-amino-5-[cyclopentylmethyl(methyl)amino]-4-propan-2-yloxythiophene-2-carbonitrile
SMILESCC(C)Oc1c(N(C)CC2CCCC2)sc(C#N)c1N
InChIInChI=1S/C15H23N3OS/c1-10(2)19-14-13(17)12(8-16)20-15(14)18(3)9-11-6-4-5-7-11/h10-11H,4-7,9,17H2,1-3H3
InChIKeyLORFOESFHINNCI-UHFFFAOYSA-N
XLogP3.62
TPSA62.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-5-[cyclobutylmethyl(methyl)amino]-4-propan-2-yloxythiophene-2-carbonitrile
CID 103421473
1-[3-amino-5-[cyclopentylmethyl(methyl)amino]-4-propan-2-yloxythiophen-2-yl]ethanone
CID 103422119
3-amino-5-(dimethylamino)-4-propan-2-yloxythiophene-2-carbonitrile
CID 103420224
3-amino-5-[methyl(2,2,2-trifluoroethyl)amino]-4-propan-2-yloxythiophene-2-carbonitrile
CID 103509456
3-amino-5-[cyclohexylmethyl(methyl)amino]-4-methylsulfonylthiophene-2-carbonitrile
CID 103417947
3-amino-5-[methyl(pyridin-4-ylmethyl)amino]-4-propan-2-yloxythiophene-2-carbonitrile
CID 103509301
ethyl 4-amino-5-cyano-2-[cyclobutylmethyl(methyl)amino]thiophene-3-carboxylate
CID 103421475
3-amino-5-[methyl(pyridin-3-ylmethyl)amino]-4-propan-2-yloxythiophene-2-carbonitrile
CID 103509190
ethyl 3-amino-5-[cyclopropylmethyl(methyl)amino]-4-propan-2-yloxythiophene-2-carboxylate
CID 103509602
3-amino-5-[(4-ethylcyclohexyl)amino]-4-propan-2-yloxythiophene-2-carbonitrile
CID 103508365
3-amino-5-[(1-methylpyrrolidin-3-yl)amino]-4-propan-2-yloxythiophene-2-carbonitrile
CID 103508090
1-[3-amino-5-[cyclopentylmethyl(methyl)amino]-4-methoxythiophen-2-yl]ethanone
CID 103422154

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[cyclopentylmethyl(methyl)amino]-4-propan-2-yloxythiophene-2-carbonitrile?
The IUPAC name of 3-amino-5-[cyclopentylmethyl(methyl)amino]-4-propan-2-yloxythiophene-2-carbonitrile (CID 103422148) is 3-amino-5-[cyclopentylmethyl(methyl)amino]-4-propan-2-yloxythiophene-2-carbonitrile.
What is the SMILES notation for 3-amino-5-[cyclopentylmethyl(methyl)amino]-4-propan-2-yloxythiophene-2-carbonitrile?
The canonical SMILES for 3-amino-5-[cyclopentylmethyl(methyl)amino]-4-propan-2-yloxythiophene-2-carbonitrile is CC(C)Oc1c(N(C)CC2CCCC2)sc(C#N)c1N.
What is the InChIKey of 3-amino-5-[cyclopentylmethyl(methyl)amino]-4-propan-2-yloxythiophene-2-carbonitrile?
The InChIKey is LORFOESFHINNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-10(2)19-14-13(17)12(8-16)20-15(14)18(3)9-11-6-4-5-7-11/h10-11H,4-7,9,17H2,1-3H3.
What are the key properties of 3-amino-5-[cyclopentylmethyl(methyl)amino]-4-propan-2-yloxythiophene-2-carbonitrile?
3-amino-5-[cyclopentylmethyl(methyl)amino]-4-propan-2-yloxythiophene-2-carbonitrile has a molecular weight of 293.44 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[cyclopentylmethyl(methyl)amino]-4-propan-2-yloxythiophene-2-carbonitrile is sourced from PubChem (CID 103422148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).