4-[3-(2,3-dihydro-1H-inden-5-yloxy)-2-hydroxypropyl]-N,N-dimethylpiperazine-1-sulfonamide

C18H29N3O4S — CID 5301614

IUPAC4-[3-(2,3-dihydro-1H-inden-5-yloxy)-2-hydroxypropyl]-N,N-dimethylpiperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN(CC(O)COc2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C18H29N3O4S/c1-19(2)26(23,24)21-10-8-20(9-11-21)13-17(22)14-25-18-7-6-15-4-3-5-16(15)12-18/h6-7,12,17,22H,3-5,8-11,13-14H2,1-2H3
InChIKeyKUDAVFAQRBUYLK-UHFFFAOYSA-N
MW383.51 g/mol
LogP0.34
Rot. Bonds7

About 4-[3-(2,3-dihydro-1H-inden-5-yloxy)-2-hydroxypropyl]-N,N-dimethylpiperazine-1-sulfonamide

4-[3-(2,3-dihydro-1H-inden-5-yloxy)-2-hydroxypropyl]-N,N-dimethylpiperazine-1-sulfonamide (PubChem CID 5301614) has the molecular formula C18H29N3O4S and a molecular weight of 383.51 g/mol. Its IUPAC name is 4-[3-(2,3-dihydro-1H-inden-5-yloxy)-2-hydroxypropyl]-N,N-dimethylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name4-[3-(2,3-dihydro-1H-inden-5-yloxy)-2-hydroxypropyl]-N,N-dimethylpiperazine-1-sulfonamide
PubChem CID5301614
Molecular FormulaC18H29N3O4S
Molecular Weight383.51 g/mol
Exact Mass383.19
IUPAC Name4-[3-(2,3-dihydro-1H-inden-5-yloxy)-2-hydroxypropyl]-N,N-dimethylpiperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN(CC(O)COc2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C18H29N3O4S/c1-19(2)26(23,24)21-10-8-20(9-11-21)13-17(22)14-25-18-7-6-15-4-3-5-16(15)12-18/h6-7,12,17,22H,3-5,8-11,13-14H2,1-2H3
InChIKeyKUDAVFAQRBUYLK-UHFFFAOYSA-N
XLogP0.34
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.51
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-Dimethylphenoxy)-3-(4-morpholinyl)-2-propanol hydrochloride
CID 2843453
1-(4-(2-Hydroxyethyl)piperazinyl)-3-(5-indanyloxy)-2-propanol
CID 2918413
1-(2,3-dihydro-1H-inden-5-yloxy)-3-(3,5-dimethyl-1-piperidinyl)-2-propanol hydrochloride
CID 2918096
1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(2,3-dihydro-1H-inden-5-yloxy)propan-2-ol
CID 2962048
({4-[2-Hydroxy-3-(4-phenylphenoxy)propyl]piperazinyl}sulfonyl)dimethylamine
CID 2989804
1-[4-(2-Hydroxy-ethyl)-piperazin-1-yl]-3-(4-isopropyl-3-methyl-phenoxy)-propan-2-ol
CID 6602760
1-(4-Methylpiperazin-1-yl)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol;hydrochloride
CID 6602852
1-(3,4-Dimethylphenoxy)-3-(4-ethylpiperazin-1-yl)propan-2-ol;hydrochloride
CID 6602970
1-(4-(2-Hydroxyethyl)piperazin-1-yl)-3-(naphthalen-2-yloxy)propan-2-olhydrochloride
CID 6602971
1-(2,3-dihydro-1H-inden-5-yloxy)-3-(4-ethyl-1-piperazinyl)-2-propanol dihydrochloride
CID 15945835
1-(2,3-dihydro-1H-inden-5-yloxy)-3-[4-[(4-methylphenyl)methyl]piperazin-1-yl]propan-2-ol
CID 44536117
1-(4-Methylpiperazin-1-yl)-3-naphthalen-2-yloxypropan-2-ol
CID 2769831

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,3-dihydro-1H-inden-5-yloxy)-2-hydroxypropyl]-N,N-dimethylpiperazine-1-sulfonamide?
The IUPAC name of 4-[3-(2,3-dihydro-1H-inden-5-yloxy)-2-hydroxypropyl]-N,N-dimethylpiperazine-1-sulfonamide (CID 5301614) is 4-[3-(2,3-dihydro-1H-inden-5-yloxy)-2-hydroxypropyl]-N,N-dimethylpiperazine-1-sulfonamide.
What is the SMILES notation for 4-[3-(2,3-dihydro-1H-inden-5-yloxy)-2-hydroxypropyl]-N,N-dimethylpiperazine-1-sulfonamide?
The canonical SMILES for 4-[3-(2,3-dihydro-1H-inden-5-yloxy)-2-hydroxypropyl]-N,N-dimethylpiperazine-1-sulfonamide is CN(C)S(=O)(=O)N1CCN(CC(O)COc2ccc3c(c2)CCC3)CC1.
What is the InChIKey of 4-[3-(2,3-dihydro-1H-inden-5-yloxy)-2-hydroxypropyl]-N,N-dimethylpiperazine-1-sulfonamide?
The InChIKey is KUDAVFAQRBUYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O4S/c1-19(2)26(23,24)21-10-8-20(9-11-21)13-17(22)14-25-18-7-6-15-4-3-5-16(15)12-18/h6-7,12,17,22H,3-5,8-11,13-14H2,1-2H3.
What are the key properties of 4-[3-(2,3-dihydro-1H-inden-5-yloxy)-2-hydroxypropyl]-N,N-dimethylpiperazine-1-sulfonamide?
4-[3-(2,3-dihydro-1H-inden-5-yloxy)-2-hydroxypropyl]-N,N-dimethylpiperazine-1-sulfonamide has a molecular weight of 383.51 g/mol, XLogP of 0.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,3-dihydro-1H-inden-5-yloxy)-2-hydroxypropyl]-N,N-dimethylpiperazine-1-sulfonamide is sourced from PubChem (CID 5301614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).