N-(3-carbazol-9-yl-2-hydroxypropyl)-N-piperidin-4-ylmethanesulfonamide

C21H27N3O3S — CID 123407209

IUPACN-(3-carbazol-9-yl-2-hydroxypropyl)-N-piperidin-4-ylmethanesulfonamide
SMILESCS(=O)(=O)N(CC(O)Cn1c2ccccc2c2ccccc21)C1CCNCC1
InChIInChI=1S/C21H27N3O3S/c1-28(26,27)24(16-10-12-22-13-11-16)15-17(25)14-23-20-8-4-2-6-18(20)19-7-3-5-9-21(19)23/h2-9,16-17,22,25H,10-15H2,1H3
InChIKeyAZQFBVACUBFWIV-UHFFFAOYSA-N
MW401.53 g/mol
LogP2.17
Rot. Bonds6

About N-(3-carbazol-9-yl-2-hydroxypropyl)-N-piperidin-4-ylmethanesulfonamide

N-(3-carbazol-9-yl-2-hydroxypropyl)-N-piperidin-4-ylmethanesulfonamide (PubChem CID 123407209) has the molecular formula C21H27N3O3S and a molecular weight of 401.53 g/mol. Its IUPAC name is N-(3-carbazol-9-yl-2-hydroxypropyl)-N-piperidin-4-ylmethanesulfonamide.

Molecular Properties

Compound NameN-(3-carbazol-9-yl-2-hydroxypropyl)-N-piperidin-4-ylmethanesulfonamide
PubChem CID123407209
Molecular FormulaC21H27N3O3S
Molecular Weight401.53 g/mol
Exact Mass401.18
IUPAC NameN-(3-carbazol-9-yl-2-hydroxypropyl)-N-piperidin-4-ylmethanesulfonamide
SMILESCS(=O)(=O)N(CC(O)Cn1c2ccccc2c2ccccc21)C1CCNCC1
InChIInChI=1S/C21H27N3O3S/c1-28(26,27)24(16-10-12-22-13-11-16)15-17(25)14-23-20-8-4-2-6-18(20)19-7-3-5-9-21(19)23/h2-9,16-17,22,25H,10-15H2,1H3
InChIKeyAZQFBVACUBFWIV-UHFFFAOYSA-N
XLogP2.17
TPSA74.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Rimcazole
CID 53389
9H-Carbazole-9-ethanol, alpha-(1-piperidinylmethyl)-
CID 56210
1-(9H-Carbazol-9-yl)-3-(morpholin-4-yl)propan-2-ol
CID 56212
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
1-(Cyclohexylamino)-3-(6-methyl-3,4-dihydro-1H-carbazol-9(2H)-YL)propan-2-OL
CID 961704
1-[4-(3-Carbazol-9-yl-2-hydroxypropyl)piperazin-1-yl]ethanone
CID 2899994
N-[3-(9H-carbazol-9-yl)-2-hydroxypropyl]-N-methylmethanesulfonamide
CID 2947704
1-(2,3-dimethyl-1H-indol-1-yl)-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 4229169
alpha-((Dipropylamino)methyl)-9H-carbazole-9-ethanol
CID 2802130
9-[3-(3,5-Dimethyl-1-piperazinyl)propyl]carbazole
CID 5072

Frequently Asked Questions

What is the IUPAC name of N-(3-carbazol-9-yl-2-hydroxypropyl)-N-piperidin-4-ylmethanesulfonamide?
The IUPAC name of N-(3-carbazol-9-yl-2-hydroxypropyl)-N-piperidin-4-ylmethanesulfonamide (CID 123407209) is N-(3-carbazol-9-yl-2-hydroxypropyl)-N-piperidin-4-ylmethanesulfonamide.
What is the SMILES notation for N-(3-carbazol-9-yl-2-hydroxypropyl)-N-piperidin-4-ylmethanesulfonamide?
The canonical SMILES for N-(3-carbazol-9-yl-2-hydroxypropyl)-N-piperidin-4-ylmethanesulfonamide is CS(=O)(=O)N(CC(O)Cn1c2ccccc2c2ccccc21)C1CCNCC1.
What is the InChIKey of N-(3-carbazol-9-yl-2-hydroxypropyl)-N-piperidin-4-ylmethanesulfonamide?
The InChIKey is AZQFBVACUBFWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3S/c1-28(26,27)24(16-10-12-22-13-11-16)15-17(25)14-23-20-8-4-2-6-18(20)19-7-3-5-9-21(19)23/h2-9,16-17,22,25H,10-15H2,1H3.
What are the key properties of N-(3-carbazol-9-yl-2-hydroxypropyl)-N-piperidin-4-ylmethanesulfonamide?
N-(3-carbazol-9-yl-2-hydroxypropyl)-N-piperidin-4-ylmethanesulfonamide has a molecular weight of 401.53 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbazol-9-yl-2-hydroxypropyl)-N-piperidin-4-ylmethanesulfonamide is sourced from PubChem (CID 123407209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).