methyl 4-[(3-carbazol-9-yl-2-hydroxypropyl)-methylsulfinylamino]piperidine-1-carboxylate

C23H29N3O4S — CID 135295626

IUPACmethyl 4-[(3-carbazol-9-yl-2-hydroxypropyl)-methylsulfinylamino]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(N(CC(O)Cn2c3ccccc3c3ccccc32)S(C)=O)CC1
InChIInChI=1S/C23H29N3O4S/c1-30-23(28)24-13-11-17(12-14-24)26(31(2)29)16-18(27)15-25-21-9-5-3-7-19(21)20-8-4-6-10-22(20)25/h3-10,17-18,27H,11-16H2,1-2H3
InChIKeySQJPQGSOHDJZAF-UHFFFAOYSA-N
MW443.57 g/mol
LogP2.98
Rot. Bonds6

About methyl 4-[(3-carbazol-9-yl-2-hydroxypropyl)-methylsulfinylamino]piperidine-1-carboxylate

methyl 4-[(3-carbazol-9-yl-2-hydroxypropyl)-methylsulfinylamino]piperidine-1-carboxylate (PubChem CID 135295626) has the molecular formula C23H29N3O4S and a molecular weight of 443.57 g/mol. Its IUPAC name is methyl 4-[(3-carbazol-9-yl-2-hydroxypropyl)-methylsulfinylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(3-carbazol-9-yl-2-hydroxypropyl)-methylsulfinylamino]piperidine-1-carboxylate
PubChem CID135295626
Molecular FormulaC23H29N3O4S
Molecular Weight443.57 g/mol
Exact Mass443.19
IUPAC Namemethyl 4-[(3-carbazol-9-yl-2-hydroxypropyl)-methylsulfinylamino]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(N(CC(O)Cn2c3ccccc3c3ccccc32)S(C)=O)CC1
InChIInChI=1S/C23H29N3O4S/c1-30-23(28)24-13-11-17(12-14-24)26(31(2)29)16-18(27)15-25-21-9-5-3-7-19(21)20-8-4-6-10-22(20)25/h3-10,17-18,27H,11-16H2,1-2H3
InChIKeySQJPQGSOHDJZAF-UHFFFAOYSA-N
XLogP2.98
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-carbazol-9-yl-2-hydroxypropyl)-N-ethylmethanesulfinamide
CID 135295654
N-(3-carbazol-9-yl-2-hydroxypropyl)-N-naphthalen-1-ylmethanesulfinamide
CID 135295627
N-(2-bicyclo[2.2.1]heptanylmethyl)-N-(3-carbazol-9-yl-2-hydroxypropyl)methanesulfinamide
CID 135295637
(2S)-1-carbazol-9-yl-3-(dipropylamino)propan-2-ol
CID 726400
(3S)-1-(3-carbazol-9-yl-2-hydroxypropyl)-3-methylpyrrolidin-2-one
CID 135134139
1-carbazol-9-yl-3-(3-methylpyrrolidin-1-yl)propan-2-ol
CID 86879291
methyl 4-[[2-(1-methylindol-3-yl)acetyl]amino]piperidine-1-carboxylate
CID 86859520
N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(3-cyanophenyl)methanesulfinamide
CID 135295554
(2S)-1-carbazol-9-yl-3-[(2S,6S)-2,6-dimethylpiperidin-1-yl]propan-2-ol
CID 1202455
3-[[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-(4-methylphenyl)sulfonylamino]propanoic acid
CID 41476223
N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(2-methoxyethyl)-4-methylbenzenesulfonamide
CID 4282252
1-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-3-methylbenzimidazol-2-one
CID 39984194

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(3-carbazol-9-yl-2-hydroxypropyl)-methylsulfinylamino]piperidine-1-carboxylate?
The IUPAC name of methyl 4-[(3-carbazol-9-yl-2-hydroxypropyl)-methylsulfinylamino]piperidine-1-carboxylate (CID 135295626) is methyl 4-[(3-carbazol-9-yl-2-hydroxypropyl)-methylsulfinylamino]piperidine-1-carboxylate.
What is the SMILES notation for methyl 4-[(3-carbazol-9-yl-2-hydroxypropyl)-methylsulfinylamino]piperidine-1-carboxylate?
The canonical SMILES for methyl 4-[(3-carbazol-9-yl-2-hydroxypropyl)-methylsulfinylamino]piperidine-1-carboxylate is COC(=O)N1CCC(N(CC(O)Cn2c3ccccc3c3ccccc32)S(C)=O)CC1.
What is the InChIKey of methyl 4-[(3-carbazol-9-yl-2-hydroxypropyl)-methylsulfinylamino]piperidine-1-carboxylate?
The InChIKey is SQJPQGSOHDJZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4S/c1-30-23(28)24-13-11-17(12-14-24)26(31(2)29)16-18(27)15-25-21-9-5-3-7-19(21)20-8-4-6-10-22(20)25/h3-10,17-18,27H,11-16H2,1-2H3.
What are the key properties of methyl 4-[(3-carbazol-9-yl-2-hydroxypropyl)-methylsulfinylamino]piperidine-1-carboxylate?
methyl 4-[(3-carbazol-9-yl-2-hydroxypropyl)-methylsulfinylamino]piperidine-1-carboxylate has a molecular weight of 443.57 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(3-carbazol-9-yl-2-hydroxypropyl)-methylsulfinylamino]piperidine-1-carboxylate is sourced from PubChem (CID 135295626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).