1-phenyl-3-(1-thiophen-2-ylpropan-2-ylamino)cyclobutane-1-carbonitrile

C18H20N2S — CID 64904212

IUPAC1-phenyl-3-(1-thiophen-2-ylpropan-2-ylamino)cyclobutane-1-carbonitrile
SMILESCC(Cc1cccs1)NC1CC(C#N)(c2ccccc2)C1
InChIInChI=1S/C18H20N2S/c1-14(10-17-8-5-9-21-17)20-16-11-18(12-16,13-19)15-6-3-2-4-7-15/h2-9,14,16,20H,10-12H2,1H3
InChIKeyHNPLHTSPICLTBG-UHFFFAOYSA-N
MW296.44 g/mol
LogP3.89
Rot. Bonds5

About 1-phenyl-3-(1-thiophen-2-ylpropan-2-ylamino)cyclobutane-1-carbonitrile

1-phenyl-3-(1-thiophen-2-ylpropan-2-ylamino)cyclobutane-1-carbonitrile (PubChem CID 64904212) has the molecular formula C18H20N2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 1-phenyl-3-(1-thiophen-2-ylpropan-2-ylamino)cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-phenyl-3-(1-thiophen-2-ylpropan-2-ylamino)cyclobutane-1-carbonitrile
PubChem CID64904212
Molecular FormulaC18H20N2S
Molecular Weight296.44 g/mol
Exact Mass296.13
IUPAC Name1-phenyl-3-(1-thiophen-2-ylpropan-2-ylamino)cyclobutane-1-carbonitrile
SMILESCC(Cc1cccs1)NC1CC(C#N)(c2ccccc2)C1
InChIInChI=1S/C18H20N2S/c1-14(10-17-8-5-9-21-17)20-16-11-18(12-16,13-19)15-6-3-2-4-7-15/h2-9,14,16,20H,10-12H2,1H3
InChIKeyHNPLHTSPICLTBG-UHFFFAOYSA-N
XLogP3.89
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-3-(propan-2-ylamino)cyclobutane-1-carbonitrile
CID 64904200
N-(1-thiophen-2-ylpropan-2-yl)cyclopropanamine
CID 82262604
1-phenyl-3-(1-pyrrolidin-1-ylpropan-2-ylamino)cyclobutane-1-carbonitrile
CID 64906498
3-(2-methylpropylamino)-1-phenylcyclobutane-1-carbonitrile
CID 64904409
1-phenyl-3-[1-(1,3-thiazol-2-yl)ethylamino]cyclobutane-1-carbonitrile
CID 64904016
4-(1-thiophen-2-ylpropan-2-ylamino)cyclohexan-1-ol
CID 103904586
2-[(3-cyano-3-phenylcyclobutyl)amino]-3-methylbutanoic acid
CID 64904218
3-(4-hydroxypentylamino)-1-phenylcyclobutane-1-carbonitrile
CID 107270220
1-cyano-3-methyl-N-(1-thiophen-2-ylpropan-2-yl)cyclobutane-1-carboxamide
CID 80502048
4-propyl-N-(1-thiophen-2-ylpropan-2-yl)cyclohexan-1-amine
CID 43432822
4-methyl-N-(1-thiophen-2-ylpropan-2-yl)cycloheptan-1-amine
CID 65081242
3-[(3-hydroxy-2-methylpropyl)amino]-1-phenylcyclobutane-1-carbonitrile
CID 65031770

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(1-thiophen-2-ylpropan-2-ylamino)cyclobutane-1-carbonitrile?
The IUPAC name of 1-phenyl-3-(1-thiophen-2-ylpropan-2-ylamino)cyclobutane-1-carbonitrile (CID 64904212) is 1-phenyl-3-(1-thiophen-2-ylpropan-2-ylamino)cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-phenyl-3-(1-thiophen-2-ylpropan-2-ylamino)cyclobutane-1-carbonitrile?
The canonical SMILES for 1-phenyl-3-(1-thiophen-2-ylpropan-2-ylamino)cyclobutane-1-carbonitrile is CC(Cc1cccs1)NC1CC(C#N)(c2ccccc2)C1.
What is the InChIKey of 1-phenyl-3-(1-thiophen-2-ylpropan-2-ylamino)cyclobutane-1-carbonitrile?
The InChIKey is HNPLHTSPICLTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2S/c1-14(10-17-8-5-9-21-17)20-16-11-18(12-16,13-19)15-6-3-2-4-7-15/h2-9,14,16,20H,10-12H2,1H3.
What are the key properties of 1-phenyl-3-(1-thiophen-2-ylpropan-2-ylamino)cyclobutane-1-carbonitrile?
1-phenyl-3-(1-thiophen-2-ylpropan-2-ylamino)cyclobutane-1-carbonitrile has a molecular weight of 296.44 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(1-thiophen-2-ylpropan-2-ylamino)cyclobutane-1-carbonitrile is sourced from PubChem (CID 64904212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).