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

C14H21N3OS — CID 103421473

IUPAC3-amino-5-[cyclobutylmethyl(methyl)amino]-4-propan-2-yloxythiophene-2-carbonitrile
SMILESCC(C)Oc1c(N(C)CC2CCC2)sc(C#N)c1N
InChIInChI=1S/C14H21N3OS/c1-9(2)18-13-12(16)11(7-15)19-14(13)17(3)8-10-5-4-6-10/h9-10H,4-6,8,16H2,1-3H3
InChIKeyOYYCOMHUHNUKFO-UHFFFAOYSA-N
MW279.41 g/mol
LogP3.23
Rot. Bonds5

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

3-amino-5-[cyclobutylmethyl(methyl)amino]-4-propan-2-yloxythiophene-2-carbonitrile (PubChem CID 103421473) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is 3-amino-5-[cyclobutylmethyl(methyl)amino]-4-propan-2-yloxythiophene-2-carbonitrile.

Molecular Properties

Compound Name3-amino-5-[cyclobutylmethyl(methyl)amino]-4-propan-2-yloxythiophene-2-carbonitrile
PubChem CID103421473
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC Name3-amino-5-[cyclobutylmethyl(methyl)amino]-4-propan-2-yloxythiophene-2-carbonitrile
SMILESCC(C)Oc1c(N(C)CC2CCC2)sc(C#N)c1N
InChIInChI=1S/C14H21N3OS/c1-9(2)18-13-12(16)11(7-15)19-14(13)17(3)8-10-5-4-6-10/h9-10H,4-6,8,16H2,1-3H3
InChIKeyOYYCOMHUHNUKFO-UHFFFAOYSA-N
XLogP3.23
TPSA62.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-5-[cyclopentylmethyl(methyl)amino]-4-propan-2-yloxythiophene-2-carbonitrile
CID 103422148
1-[3-amino-5-[cyclopentylmethyl(methyl)amino]-4-propan-2-yloxythiophen-2-yl]ethanone
CID 103422119
3-amino-5-[methyl(2,2,2-trifluoroethyl)amino]-4-propan-2-yloxythiophene-2-carbonitrile
CID 103509456
ethyl 4-amino-5-cyano-2-[cyclobutylmethyl(methyl)amino]thiophene-3-carboxylate
CID 103421475
3-amino-5-[methyl(pyridin-4-ylmethyl)amino]-4-propan-2-yloxythiophene-2-carbonitrile
CID 103509301
3-amino-5-[cyclohexylmethyl(methyl)amino]-4-methylsulfonylthiophene-2-carbonitrile
CID 103417947
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
3-amino-5-[[2-(dimethylamino)-2-methylpropyl]amino]-4-propan-2-yloxythiophene-2-carbonitrile
CID 103508793
3-amino-5-[(1-methylpyrrolidin-2-yl)methylamino]-4-propan-2-yloxythiophene-2-carbonitrile
CID 106029516

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[cyclobutylmethyl(methyl)amino]-4-propan-2-yloxythiophene-2-carbonitrile?
The IUPAC name of 3-amino-5-[cyclobutylmethyl(methyl)amino]-4-propan-2-yloxythiophene-2-carbonitrile (CID 103421473) is 3-amino-5-[cyclobutylmethyl(methyl)amino]-4-propan-2-yloxythiophene-2-carbonitrile.
What is the SMILES notation for 3-amino-5-[cyclobutylmethyl(methyl)amino]-4-propan-2-yloxythiophene-2-carbonitrile?
The canonical SMILES for 3-amino-5-[cyclobutylmethyl(methyl)amino]-4-propan-2-yloxythiophene-2-carbonitrile is CC(C)Oc1c(N(C)CC2CCC2)sc(C#N)c1N.
What is the InChIKey of 3-amino-5-[cyclobutylmethyl(methyl)amino]-4-propan-2-yloxythiophene-2-carbonitrile?
The InChIKey is OYYCOMHUHNUKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-9(2)18-13-12(16)11(7-15)19-14(13)17(3)8-10-5-4-6-10/h9-10H,4-6,8,16H2,1-3H3.
What are the key properties of 3-amino-5-[cyclobutylmethyl(methyl)amino]-4-propan-2-yloxythiophene-2-carbonitrile?
3-amino-5-[cyclobutylmethyl(methyl)amino]-4-propan-2-yloxythiophene-2-carbonitrile has a molecular weight of 279.41 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[cyclobutylmethyl(methyl)amino]-4-propan-2-yloxythiophene-2-carbonitrile is sourced from PubChem (CID 103421473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).