1-carbazol-9-yl-3-[methyl(thiophen-3-ylmethyl)amino]propan-2-ol

C21H22N2OS — CID 42944037

IUPAC1-carbazol-9-yl-3-[methyl(thiophen-3-ylmethyl)amino]propan-2-ol
SMILESCN(Cc1ccsc1)CC(O)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C21H22N2OS/c1-22(12-16-10-11-25-15-16)13-17(24)14-23-20-8-4-2-6-18(20)19-7-3-5-9-21(19)23/h2-11,15,17,24H,12-14H2,1H3
InChIKeyIKLAGYAPGIEXLK-UHFFFAOYSA-N
MW350.49 g/mol
LogP4.35
Rot. Bonds6

About 1-carbazol-9-yl-3-[methyl(thiophen-3-ylmethyl)amino]propan-2-ol

1-carbazol-9-yl-3-[methyl(thiophen-3-ylmethyl)amino]propan-2-ol (PubChem CID 42944037) has the molecular formula C21H22N2OS and a molecular weight of 350.49 g/mol. Its IUPAC name is 1-carbazol-9-yl-3-[methyl(thiophen-3-ylmethyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-carbazol-9-yl-3-[methyl(thiophen-3-ylmethyl)amino]propan-2-ol
PubChem CID42944037
Molecular FormulaC21H22N2OS
Molecular Weight350.49 g/mol
Exact Mass350.15
IUPAC Name1-carbazol-9-yl-3-[methyl(thiophen-3-ylmethyl)amino]propan-2-ol
SMILESCN(Cc1ccsc1)CC(O)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C21H22N2OS/c1-22(12-16-10-11-25-15-16)13-17(24)14-23-20-8-4-2-6-18(20)19-7-3-5-9-21(19)23/h2-11,15,17,24H,12-14H2,1H3
InChIKeyIKLAGYAPGIEXLK-UHFFFAOYSA-N
XLogP4.35
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.49
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-carbazol-9-yl-3-[methyl(thiophen-3-ylmethyl)amino]propan-2-ol?
The IUPAC name of 1-carbazol-9-yl-3-[methyl(thiophen-3-ylmethyl)amino]propan-2-ol (CID 42944037) is 1-carbazol-9-yl-3-[methyl(thiophen-3-ylmethyl)amino]propan-2-ol.
What is the SMILES notation for 1-carbazol-9-yl-3-[methyl(thiophen-3-ylmethyl)amino]propan-2-ol?
The canonical SMILES for 1-carbazol-9-yl-3-[methyl(thiophen-3-ylmethyl)amino]propan-2-ol is CN(Cc1ccsc1)CC(O)Cn1c2ccccc2c2ccccc21.
What is the InChIKey of 1-carbazol-9-yl-3-[methyl(thiophen-3-ylmethyl)amino]propan-2-ol?
The InChIKey is IKLAGYAPGIEXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2OS/c1-22(12-16-10-11-25-15-16)13-17(24)14-23-20-8-4-2-6-18(20)19-7-3-5-9-21(19)23/h2-11,15,17,24H,12-14H2,1H3.
What are the key properties of 1-carbazol-9-yl-3-[methyl(thiophen-3-ylmethyl)amino]propan-2-ol?
1-carbazol-9-yl-3-[methyl(thiophen-3-ylmethyl)amino]propan-2-ol has a molecular weight of 350.49 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbazol-9-yl-3-[methyl(thiophen-3-ylmethyl)amino]propan-2-ol is sourced from PubChem (CID 42944037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).