1-(9H-fluoren-9-ylamino)-2-methyl-3-methylsulfanylpropan-2-ol

C18H21NOS — CID 103950850

IUPAC1-(9H-fluoren-9-ylamino)-2-methyl-3-methylsulfanylpropan-2-ol
SMILESCSCC(C)(O)CNC1c2ccccc2-c2ccccc21
InChIInChI=1S/C18H21NOS/c1-18(20,12-21-2)11-19-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-10,17,19-20H,11-12H2,1-2H3
InChIKeyYMSRKFZXPUDNGE-UHFFFAOYSA-N
MW299.44 g/mol
LogP3.46
Rot. Bonds5

About 1-(9H-fluoren-9-ylamino)-2-methyl-3-methylsulfanylpropan-2-ol

1-(9H-fluoren-9-ylamino)-2-methyl-3-methylsulfanylpropan-2-ol (PubChem CID 103950850) has the molecular formula C18H21NOS and a molecular weight of 299.44 g/mol. Its IUPAC name is 1-(9H-fluoren-9-ylamino)-2-methyl-3-methylsulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(9H-fluoren-9-ylamino)-2-methyl-3-methylsulfanylpropan-2-ol
PubChem CID103950850
Molecular FormulaC18H21NOS
Molecular Weight299.44 g/mol
Exact Mass299.13
IUPAC Name1-(9H-fluoren-9-ylamino)-2-methyl-3-methylsulfanylpropan-2-ol
SMILESCSCC(C)(O)CNC1c2ccccc2-c2ccccc21
InChIInChI=1S/C18H21NOS/c1-18(20,12-21-2)11-19-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-10,17,19-20H,11-12H2,1-2H3
InChIKeyYMSRKFZXPUDNGE-UHFFFAOYSA-N
XLogP3.46
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(9H-fluoren-9-ylamino)-3,3-dimethylbutan-1-ol
CID 103952094
1-(2,3-dihydro-1H-inden-2-ylamino)-2-methyl-3-methylsulfanylpropan-2-ol
CID 113261872
1-[[3-(2-chlorophenyl)cyclobutyl]amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106246004
2-methyl-1-methylsulfanyl-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propan-2-ol
CID 103784852
1-(2-aminoanilino)-2-methyl-3-methylsulfanylpropan-2-ol
CID 106243794
1-(benzhydrylamino)-2-methyl-3-methylsulfanylpropan-2-ol
CID 103948401
3-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-1-phenylcyclobutane-1-carbonitrile
CID 102612783
2-methyl-1-methylsulfanyl-3-[(1-pyridin-2-ylpiperidin-4-yl)amino]propan-2-ol
CID 103784825
4-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]oxolan-3-ol
CID 106247131
trans-(1S,2S)-2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]cyclopentan-1-ol
CID 106246971
2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]cyclopentan-1-ol
CID 106247252
2-methyl-1-methylsulfanyl-3-([1,2,4]triazolo[1,5-a]pyridin-2-ylamino)propan-2-ol
CID 102677502

Frequently Asked Questions

What is the IUPAC name of 1-(9H-fluoren-9-ylamino)-2-methyl-3-methylsulfanylpropan-2-ol?
The IUPAC name of 1-(9H-fluoren-9-ylamino)-2-methyl-3-methylsulfanylpropan-2-ol (CID 103950850) is 1-(9H-fluoren-9-ylamino)-2-methyl-3-methylsulfanylpropan-2-ol.
What is the SMILES notation for 1-(9H-fluoren-9-ylamino)-2-methyl-3-methylsulfanylpropan-2-ol?
The canonical SMILES for 1-(9H-fluoren-9-ylamino)-2-methyl-3-methylsulfanylpropan-2-ol is CSCC(C)(O)CNC1c2ccccc2-c2ccccc21.
What is the InChIKey of 1-(9H-fluoren-9-ylamino)-2-methyl-3-methylsulfanylpropan-2-ol?
The InChIKey is YMSRKFZXPUDNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NOS/c1-18(20,12-21-2)11-19-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-10,17,19-20H,11-12H2,1-2H3.
What are the key properties of 1-(9H-fluoren-9-ylamino)-2-methyl-3-methylsulfanylpropan-2-ol?
1-(9H-fluoren-9-ylamino)-2-methyl-3-methylsulfanylpropan-2-ol has a molecular weight of 299.44 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9H-fluoren-9-ylamino)-2-methyl-3-methylsulfanylpropan-2-ol is sourced from PubChem (CID 103950850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).