1-(3,6-difluorocarbazol-9-yl)-3-[methyl(methylsulfanyl)amino]propan-2-ol

C17H18F2N2OS — CID 135295529

IUPAC1-(3,6-difluorocarbazol-9-yl)-3-[methyl(methylsulfanyl)amino]propan-2-ol
SMILESCSN(C)CC(O)Cn1c2ccc(F)cc2c2cc(F)ccc21
InChIInChI=1S/C17H18F2N2OS/c1-20(23-2)9-13(22)10-21-16-5-3-11(18)7-14(16)15-8-12(19)4-6-17(15)21/h3-8,13,22H,9-10H2,1-2H3
InChIKeyGFSXYPRXEGOWIH-UHFFFAOYSA-N
MW336.41 g/mol
LogP3.64
Rot. Bonds5

About 1-(3,6-difluorocarbazol-9-yl)-3-[methyl(methylsulfanyl)amino]propan-2-ol

1-(3,6-difluorocarbazol-9-yl)-3-[methyl(methylsulfanyl)amino]propan-2-ol (PubChem CID 135295529) has the molecular formula C17H18F2N2OS and a molecular weight of 336.41 g/mol. Its IUPAC name is 1-(3,6-difluorocarbazol-9-yl)-3-[methyl(methylsulfanyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(3,6-difluorocarbazol-9-yl)-3-[methyl(methylsulfanyl)amino]propan-2-ol
PubChem CID135295529
Molecular FormulaC17H18F2N2OS
Molecular Weight336.41 g/mol
Exact Mass336.11
IUPAC Name1-(3,6-difluorocarbazol-9-yl)-3-[methyl(methylsulfanyl)amino]propan-2-ol
SMILESCSN(C)CC(O)Cn1c2ccc(F)cc2c2cc(F)ccc21
InChIInChI=1S/C17H18F2N2OS/c1-20(23-2)9-13(22)10-21-16-5-3-11(18)7-14(16)15-8-12(19)4-6-17(15)21/h3-8,13,22H,9-10H2,1-2H3
InChIKeyGFSXYPRXEGOWIH-UHFFFAOYSA-N
XLogP3.64
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 56210
9H-Carbazole-9-methanol
CID 75480
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CID 56212
3,6-Dibromo-alpha-((dimethylamino)methyl)-9H-carbazole-9-ethanol
CID 2775510
1-(9H-carbazol-9-yl)-3-(naphthalen-1-ylamino)propan-2-ol
CID 2836198
N-[3-(9H-carbazol-9-yl)-2-hydroxypropyl]-N-phenylmethanesulfonamide
CID 2879611
N-[3-(9H-carbazol-9-yl)-2-hydroxypropyl]-N-(4-fluorophenyl)methanesulfonamide
CID 2953180
N-Butylcarbazole
CID 73872
1-(Cyclohexylamino)-3-(6-methyl-3,4-dihydro-1H-carbazol-9(2H)-YL)propan-2-OL
CID 961704
(R)-1-(3-(3,6-difluoro-9H-carbazol-9-yl)-2-hydroxypropyl)imid-azolidin-2-one
CID 118415358
(S)-wiskostatin
CID 448668
1-[4-(3-Carbazol-9-yl-2-hydroxypropyl)piperazin-1-yl]ethanone
CID 2899994

Frequently Asked Questions

What is the IUPAC name of 1-(3,6-difluorocarbazol-9-yl)-3-[methyl(methylsulfanyl)amino]propan-2-ol?
The IUPAC name of 1-(3,6-difluorocarbazol-9-yl)-3-[methyl(methylsulfanyl)amino]propan-2-ol (CID 135295529) is 1-(3,6-difluorocarbazol-9-yl)-3-[methyl(methylsulfanyl)amino]propan-2-ol.
What is the SMILES notation for 1-(3,6-difluorocarbazol-9-yl)-3-[methyl(methylsulfanyl)amino]propan-2-ol?
The canonical SMILES for 1-(3,6-difluorocarbazol-9-yl)-3-[methyl(methylsulfanyl)amino]propan-2-ol is CSN(C)CC(O)Cn1c2ccc(F)cc2c2cc(F)ccc21.
What is the InChIKey of 1-(3,6-difluorocarbazol-9-yl)-3-[methyl(methylsulfanyl)amino]propan-2-ol?
The InChIKey is GFSXYPRXEGOWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2OS/c1-20(23-2)9-13(22)10-21-16-5-3-11(18)7-14(16)15-8-12(19)4-6-17(15)21/h3-8,13,22H,9-10H2,1-2H3.
What are the key properties of 1-(3,6-difluorocarbazol-9-yl)-3-[methyl(methylsulfanyl)amino]propan-2-ol?
1-(3,6-difluorocarbazol-9-yl)-3-[methyl(methylsulfanyl)amino]propan-2-ol has a molecular weight of 336.41 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-difluorocarbazol-9-yl)-3-[methyl(methylsulfanyl)amino]propan-2-ol is sourced from PubChem (CID 135295529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).