1-(4-bromophenyl)sulfonyl-4-[(oxetan-3-ylamino)methyl]piperidin-4-ol

C15H21BrN2O4S — CID 69082826

IUPAC1-(4-bromophenyl)sulfonyl-4-[(oxetan-3-ylamino)methyl]piperidin-4-ol
SMILESO=S(=O)(c1ccc(Br)cc1)N1CCC(O)(CNC2COC2)CC1
InChIInChI=1S/C15H21BrN2O4S/c16-12-1-3-14(4-2-12)23(20,21)18-7-5-15(19,6-8-18)11-17-13-9-22-10-13/h1-4,13,17,19H,5-11H2
InChIKeyNDQKDUKPKSIZCN-UHFFFAOYSA-N
MW405.31 g/mol
LogP0.95
Rot. Bonds5

About 1-(4-bromophenyl)sulfonyl-4-[(oxetan-3-ylamino)methyl]piperidin-4-ol

1-(4-bromophenyl)sulfonyl-4-[(oxetan-3-ylamino)methyl]piperidin-4-ol (PubChem CID 69082826) has the molecular formula C15H21BrN2O4S and a molecular weight of 405.31 g/mol. Its IUPAC name is 1-(4-bromophenyl)sulfonyl-4-[(oxetan-3-ylamino)methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-(4-bromophenyl)sulfonyl-4-[(oxetan-3-ylamino)methyl]piperidin-4-ol
PubChem CID69082826
Molecular FormulaC15H21BrN2O4S
Molecular Weight405.31 g/mol
Exact Mass404.04
IUPAC Name1-(4-bromophenyl)sulfonyl-4-[(oxetan-3-ylamino)methyl]piperidin-4-ol
SMILESO=S(=O)(c1ccc(Br)cc1)N1CCC(O)(CNC2COC2)CC1
InChIInChI=1S/C15H21BrN2O4S/c16-12-1-3-14(4-2-12)23(20,21)18-7-5-15(19,6-8-18)11-17-13-9-22-10-13/h1-4,13,17,19H,5-11H2
InChIKeyNDQKDUKPKSIZCN-UHFFFAOYSA-N
XLogP0.95
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.31
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-bromophenyl)sulfonyl-4-[[(1-methylcyclopropyl)amino]methyl]piperidin-4-ol
CID 69082539
N-[[1-(4-bromophenyl)sulfonyl-4-hydroxypiperidin-4-yl]methyl]-2-chloropropanamide
CID 123837669
(4aS,8aR)-6-(4-bromophenyl)sulfonyl-2,2-dimethyl-4,4a,5,7,8,8a-hexahydro-3H-pyrano[3,2-c]pyridine
CID 110157070
[1-(4-bromophenyl)sulfonylpiperidin-4-yl]methanamine
CID 43605295
8-(4-bromophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
CID 59565094
1-(4-bromophenyl)sulfonyl-4-methylpiperidine
CID 3118654
1-(4-bromophenyl)sulfonylpiperidine-4-carboxylic acid
CID 737843
1-(4-bromophenyl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]cyclopentane-1-carboxamide
CID 112828630
N-[1-(4-bromophenyl)sulfonylpiperidin-4-yl]-4-oxopentanamide
CID 108562846
4-[4-(4-bromophenoxy)phenyl]sulfonylmorpholine
CID 1257549
2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-cyclopropyl-2-oxoacetamide
CID 55735167
tert-butyl N-[1-(4-bromophenyl)sulfonyl-4-(hydroxymethyl)piperidin-4-yl]carbamate
CID 86695697

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)sulfonyl-4-[(oxetan-3-ylamino)methyl]piperidin-4-ol?
The IUPAC name of 1-(4-bromophenyl)sulfonyl-4-[(oxetan-3-ylamino)methyl]piperidin-4-ol (CID 69082826) is 1-(4-bromophenyl)sulfonyl-4-[(oxetan-3-ylamino)methyl]piperidin-4-ol.
What is the SMILES notation for 1-(4-bromophenyl)sulfonyl-4-[(oxetan-3-ylamino)methyl]piperidin-4-ol?
The canonical SMILES for 1-(4-bromophenyl)sulfonyl-4-[(oxetan-3-ylamino)methyl]piperidin-4-ol is O=S(=O)(c1ccc(Br)cc1)N1CCC(O)(CNC2COC2)CC1.
What is the InChIKey of 1-(4-bromophenyl)sulfonyl-4-[(oxetan-3-ylamino)methyl]piperidin-4-ol?
The InChIKey is NDQKDUKPKSIZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O4S/c16-12-1-3-14(4-2-12)23(20,21)18-7-5-15(19,6-8-18)11-17-13-9-22-10-13/h1-4,13,17,19H,5-11H2.
What are the key properties of 1-(4-bromophenyl)sulfonyl-4-[(oxetan-3-ylamino)methyl]piperidin-4-ol?
1-(4-bromophenyl)sulfonyl-4-[(oxetan-3-ylamino)methyl]piperidin-4-ol has a molecular weight of 405.31 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)sulfonyl-4-[(oxetan-3-ylamino)methyl]piperidin-4-ol is sourced from PubChem (CID 69082826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).