[1-(2-bromophenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride

C12H18BrClN2O2S — CID 119969035

IUPAC[1-(2-bromophenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride
SMILESCl.NCC1CCCN(S(=O)(=O)c2ccccc2Br)C1
InChIInChI=1S/C12H17BrN2O2S.ClH/c13-11-5-1-2-6-12(11)18(16,17)15-7-3-4-10(8-14)9-15;/h1-2,5-6,10H,3-4,7-9,14H2;1H
InChIKeySMSBEBPLGXPJAK-UHFFFAOYSA-N
MW369.71 g/mol
LogP2.23
Rot. Bonds3

About [1-(2-bromophenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride

[1-(2-bromophenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride (PubChem CID 119969035) has the molecular formula C12H18BrClN2O2S and a molecular weight of 369.71 g/mol. Its IUPAC name is [1-(2-bromophenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-(2-bromophenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride
PubChem CID119969035
Molecular FormulaC12H18BrClN2O2S
Molecular Weight369.71 g/mol
Exact Mass368.00
IUPAC Name[1-(2-bromophenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride
SMILESCl.NCC1CCCN(S(=O)(=O)c2ccccc2Br)C1
InChIInChI=1S/C12H17BrN2O2S.ClH/c13-11-5-1-2-6-12(11)18(16,17)15-7-3-4-10(8-14)9-15;/h1-2,5-6,10H,3-4,7-9,14H2;1H
InChIKeySMSBEBPLGXPJAK-UHFFFAOYSA-N
XLogP2.23
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.71
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-bromophenyl)sulfonylpiperidin-4-yl]methanamine;hydrochloride
CID 119963995
[1-(2-chlorophenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride
CID 119969009
3-(2-bromoethyl)-1-(2-bromophenyl)sulfonylpiperidine
CID 80674640
(1-naphthalen-1-ylsulfonylpiperidin-3-yl)methanamine;hydrochloride
CID 119968918
1-[1-(2-bromophenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine
CID 61203801
[1-(2,4-dibromophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119971871
[1-(2-chlorophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119972183
1-(2-bromophenyl)sulfonylpiperidine-3-carbaldehyde
CID 63846227
[1-(2-bromo-3-chlorophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120708440
[1-(2-methoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119972182
4-(bromomethyl)-1-(2-bromophenyl)sulfonylpiperidine
CID 80668441
(1-pyridin-3-ylsulfonylpiperidin-3-yl)methanamine;hydrochloride
CID 119968968

Frequently Asked Questions

What is the IUPAC name of [1-(2-bromophenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride?
The IUPAC name of [1-(2-bromophenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride (CID 119969035) is [1-(2-bromophenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-(2-bromophenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride?
The canonical SMILES for [1-(2-bromophenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride is Cl.NCC1CCCN(S(=O)(=O)c2ccccc2Br)C1.
What is the InChIKey of [1-(2-bromophenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride?
The InChIKey is SMSBEBPLGXPJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2S.ClH/c13-11-5-1-2-6-12(11)18(16,17)15-7-3-4-10(8-14)9-15;/h1-2,5-6,10H,3-4,7-9,14H2;1H.
What are the key properties of [1-(2-bromophenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride?
[1-(2-bromophenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride has a molecular weight of 369.71 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-bromophenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride is sourced from PubChem (CID 119969035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).