1-(4-bromophenyl)sulfonyl-4-[[(1-methylcyclopropyl)amino]methyl]piperidin-4-ol

C16H23BrN2O3S — CID 69082539

IUPAC1-(4-bromophenyl)sulfonyl-4-[[(1-methylcyclopropyl)amino]methyl]piperidin-4-ol
SMILESCC1(NCC2(O)CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)CC1
InChIInChI=1S/C16H23BrN2O3S/c1-15(6-7-15)18-12-16(20)8-10-19(11-9-16)23(21,22)14-4-2-13(17)3-5-14/h2-5,18,20H,6-12H2,1H3
InChIKeyDJBVOUOGVKGNCE-UHFFFAOYSA-N
MW403.34 g/mol
LogP2.11
Rot. Bonds5

About 1-(4-bromophenyl)sulfonyl-4-[[(1-methylcyclopropyl)amino]methyl]piperidin-4-ol

1-(4-bromophenyl)sulfonyl-4-[[(1-methylcyclopropyl)amino]methyl]piperidin-4-ol (PubChem CID 69082539) has the molecular formula C16H23BrN2O3S and a molecular weight of 403.34 g/mol. Its IUPAC name is 1-(4-bromophenyl)sulfonyl-4-[[(1-methylcyclopropyl)amino]methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-(4-bromophenyl)sulfonyl-4-[[(1-methylcyclopropyl)amino]methyl]piperidin-4-ol
PubChem CID69082539
Molecular FormulaC16H23BrN2O3S
Molecular Weight403.34 g/mol
Exact Mass402.06
IUPAC Name1-(4-bromophenyl)sulfonyl-4-[[(1-methylcyclopropyl)amino]methyl]piperidin-4-ol
SMILESCC1(NCC2(O)CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)CC1
InChIInChI=1S/C16H23BrN2O3S/c1-15(6-7-15)18-12-16(20)8-10-19(11-9-16)23(21,22)14-4-2-13(17)3-5-14/h2-5,18,20H,6-12H2,1H3
InChIKeyDJBVOUOGVKGNCE-UHFFFAOYSA-N
XLogP2.11
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.34
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(4-bromophenyl)sulfonyl-4-hydroxypiperidin-4-yl]methyl]-2-chloropropanamide
CID 123837669
1-(4-bromophenyl)sulfonyl-4-[(oxetan-3-ylamino)methyl]piperidin-4-ol
CID 69082826
4-bromo-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzenesulfonamide
CID 65121490
4-methyl-1-(4-methylphenyl)sulfonylpiperidin-4-ol
CID 81103611
N-[1-(4-bromophenyl)sulfonylpiperidin-4-ylidene]hydroxylamine
CID 24695757
tert-butyl N-[1-(4-bromophenyl)sulfonyl-4-(hydroxymethyl)piperidin-4-yl]carbamate
CID 86695697
4-(4-hydroxy-4-methylpiperidin-1-yl)sulfonylbenzonitrile
CID 81102847
1-(3-bromophenyl)sulfonyl-N,4-dimethylpiperidin-4-amine
CID 115304834
1-(4-bromophenyl)sulfonyl-4-methylpiperidine
CID 3118654
1-(4-bromophenyl)sulfonyl-2,2-dimethylpyrrolidine
CID 63219211
4-bromo-N-(4-piperidin-1-ylsulfonylphenyl)benzenesulfonamide
CID 1274641
1-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-2-ethoxyethanone
CID 9496252

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)sulfonyl-4-[[(1-methylcyclopropyl)amino]methyl]piperidin-4-ol?
The IUPAC name of 1-(4-bromophenyl)sulfonyl-4-[[(1-methylcyclopropyl)amino]methyl]piperidin-4-ol (CID 69082539) is 1-(4-bromophenyl)sulfonyl-4-[[(1-methylcyclopropyl)amino]methyl]piperidin-4-ol.
What is the SMILES notation for 1-(4-bromophenyl)sulfonyl-4-[[(1-methylcyclopropyl)amino]methyl]piperidin-4-ol?
The canonical SMILES for 1-(4-bromophenyl)sulfonyl-4-[[(1-methylcyclopropyl)amino]methyl]piperidin-4-ol is CC1(NCC2(O)CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)CC1.
What is the InChIKey of 1-(4-bromophenyl)sulfonyl-4-[[(1-methylcyclopropyl)amino]methyl]piperidin-4-ol?
The InChIKey is DJBVOUOGVKGNCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O3S/c1-15(6-7-15)18-12-16(20)8-10-19(11-9-16)23(21,22)14-4-2-13(17)3-5-14/h2-5,18,20H,6-12H2,1H3.
What are the key properties of 1-(4-bromophenyl)sulfonyl-4-[[(1-methylcyclopropyl)amino]methyl]piperidin-4-ol?
1-(4-bromophenyl)sulfonyl-4-[[(1-methylcyclopropyl)amino]methyl]piperidin-4-ol has a molecular weight of 403.34 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)sulfonyl-4-[[(1-methylcyclopropyl)amino]methyl]piperidin-4-ol is sourced from PubChem (CID 69082539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).