(2S)-2-(9H-fluoren-9-ylamino)-2-thiophen-2-ylacetonitrile

C19H14N2S — CID 134916759

IUPAC(2S)-2-(9H-fluoren-9-ylamino)-2-thiophen-2-ylacetonitrile
SMILESN#C[C@H](NC1c2ccccc2-c2ccccc21)c1cccs1
InChIInChI=1S/C19H14N2S/c20-12-17(18-10-5-11-22-18)21-19-15-8-3-1-6-13(15)14-7-2-4-9-16(14)19/h1-11,17,19,21H/t17-/m0/s1
InChIKeyRBQPVGOPJVACNH-KRWDZBQOSA-N
MW302.40 g/mol
LogP4.67
Rot. Bonds3

About (2S)-2-(9H-fluoren-9-ylamino)-2-thiophen-2-ylacetonitrile

(2S)-2-(9H-fluoren-9-ylamino)-2-thiophen-2-ylacetonitrile (PubChem CID 134916759) has the molecular formula C19H14N2S and a molecular weight of 302.40 g/mol. Its IUPAC name is (2S)-2-(9H-fluoren-9-ylamino)-2-thiophen-2-ylacetonitrile.

Molecular Properties

Compound Name(2S)-2-(9H-fluoren-9-ylamino)-2-thiophen-2-ylacetonitrile
PubChem CID134916759
Molecular FormulaC19H14N2S
Molecular Weight302.40 g/mol
Exact Mass302.09
IUPAC Name(2S)-2-(9H-fluoren-9-ylamino)-2-thiophen-2-ylacetonitrile
SMILESN#C[C@H](NC1c2ccccc2-c2ccccc21)c1cccs1
InChIInChI=1S/C19H14N2S/c20-12-17(18-10-5-11-22-18)21-19-15-8-3-1-6-13(15)14-7-2-4-9-16(14)19/h1-11,17,19,21H/t17-/m0/s1
InChIKeyRBQPVGOPJVACNH-KRWDZBQOSA-N
XLogP4.67
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(thiophen-2-yl)methyl]-2,3-dihydro-1H-inden-2-amine hydrochloride
CID 21648292
N-benzyl-4,4a,5,6,7,8-hexahydroindeno[1,2-b]thiophen-8a-amine
CID 44373667
2-[(Thiophen-2-ylmethylamino)methyl]benzonitrile
CID 1439866
1,1-diphenyl-N-(thiophen-2-ylmethyl)methanamine
CID 834049
2-(3-Cyano-4-thiophen-2-yl-1,5-dihydroindeno[1,2-b]pyridin-2-ylidene)propanedinitrile
CID 2807488
N-methyl-N-(thiophen-3-ylmethyl)-2,3-dihydro-1H-inden-1-amine
CID 134791837
(2S)-2-(benzhydrylamino)-2-thiophen-2-ylacetonitrile
CID 67052805
2-(Benzhydrylamino)-2-thiophen-2-ylacetonitrile
CID 67052807
(1R)-N-[(2,4-difluorophenyl)methyl]-1-(2,3-dihydro-1H-inden-5-yl)-1-thiophen-2-ylmethanamine
CID 40078581
N-[(thiophen-2-yl)methyl]-2,3-dihydro-1H-inden-2-amine
CID 21648293
2-fluoro-5-[5-[(1R)-1-(methylamino)-2,3-dihydro-1H-inden-4-yl]thiophen-2-yl]benzonitrile
CID 118460395
2-(Benzylamino)-2-thiophen-2-ylacetonitrile
CID 11253178

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(9H-fluoren-9-ylamino)-2-thiophen-2-ylacetonitrile?
The IUPAC name of (2S)-2-(9H-fluoren-9-ylamino)-2-thiophen-2-ylacetonitrile (CID 134916759) is (2S)-2-(9H-fluoren-9-ylamino)-2-thiophen-2-ylacetonitrile.
What is the SMILES notation for (2S)-2-(9H-fluoren-9-ylamino)-2-thiophen-2-ylacetonitrile?
The canonical SMILES for (2S)-2-(9H-fluoren-9-ylamino)-2-thiophen-2-ylacetonitrile is N#C[C@H](NC1c2ccccc2-c2ccccc21)c1cccs1.
What is the InChIKey of (2S)-2-(9H-fluoren-9-ylamino)-2-thiophen-2-ylacetonitrile?
The InChIKey is RBQPVGOPJVACNH-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H14N2S/c20-12-17(18-10-5-11-22-18)21-19-15-8-3-1-6-13(15)14-7-2-4-9-16(14)19/h1-11,17,19,21H/t17-/m0/s1.
What are the key properties of (2S)-2-(9H-fluoren-9-ylamino)-2-thiophen-2-ylacetonitrile?
(2S)-2-(9H-fluoren-9-ylamino)-2-thiophen-2-ylacetonitrile has a molecular weight of 302.40 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(9H-fluoren-9-ylamino)-2-thiophen-2-ylacetonitrile is sourced from PubChem (CID 134916759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).