1-(3-bromophenyl)sulfonyl-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride

C15H22BrClN2O2S — CID 119987758

IUPAC1-(3-bromophenyl)sulfonyl-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride
SMILESCl.O=S(=O)(c1cccc(Br)c1)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C15H21BrN2O2S.ClH/c16-13-2-1-3-15(10-13)21(19,20)18-8-6-14(7-9-18)17-11-12-4-5-12;/h1-3,10,12,14,17H,4-9,11H2;1H
InChIKeyFOIZJHOHBYUDHB-UHFFFAOYSA-N
MW409.78 g/mol
LogP3.02
Rot. Bonds5

About 1-(3-bromophenyl)sulfonyl-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride

1-(3-bromophenyl)sulfonyl-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride (PubChem CID 119987758) has the molecular formula C15H22BrClN2O2S and a molecular weight of 409.78 g/mol. Its IUPAC name is 1-(3-bromophenyl)sulfonyl-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name1-(3-bromophenyl)sulfonyl-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride
PubChem CID119987758
Molecular FormulaC15H22BrClN2O2S
Molecular Weight409.78 g/mol
Exact Mass408.03
IUPAC Name1-(3-bromophenyl)sulfonyl-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride
SMILESCl.O=S(=O)(c1cccc(Br)c1)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C15H21BrN2O2S.ClH/c16-13-2-1-3-15(10-13)21(19,20)18-8-6-14(7-9-18)17-11-12-4-5-12;/h1-3,10,12,14,17H,4-9,11H2;1H
InChIKeyFOIZJHOHBYUDHB-UHFFFAOYSA-N
XLogP3.02
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.78
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopropylmethyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine;hydrochloride
CID 119987428
N-(cyclopropylmethyl)-1-(3-propan-2-ylphenyl)sulfonylpiperidin-4-amine
CID 119987730
N-(cyclopropylmethyl)-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-amine;hydrochloride
CID 119987824
N-(cyclopropylmethyl)-1-naphthalen-2-ylsulfonylpiperidin-4-amine;hydrochloride
CID 119987587
[1-(3-bromophenyl)sulfonylpiperidin-4-yl]methanamine
CID 43605305
1-(4-bromo-2-methylphenyl)sulfonyl-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride
CID 120711384
N-(cyclopropylmethyl)-1-(4-methoxy-3,5-dimethylphenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119987781
N-(cyclopropylmethyl)-1-(3,4,5-trifluorophenyl)sulfonylpiperidin-4-amine
CID 119987863
1-(3-bromophenyl)sulfonylpiperidine-4-carbaldehyde
CID 63845024
2-(3-bromophenyl)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119623852
tert-butyl N-[1-(3-bromophenyl)sulfonylpiperidin-4-yl]carbamate
CID 164556892
N-(cyclopropylmethyl)-1-(2,3-dichlorophenyl)sulfonylpiperidin-4-amine
CID 119987433

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)sulfonyl-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride?
The IUPAC name of 1-(3-bromophenyl)sulfonyl-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride (CID 119987758) is 1-(3-bromophenyl)sulfonyl-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride.
What is the SMILES notation for 1-(3-bromophenyl)sulfonyl-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride?
The canonical SMILES for 1-(3-bromophenyl)sulfonyl-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride is Cl.O=S(=O)(c1cccc(Br)c1)N1CCC(NCC2CC2)CC1.
What is the InChIKey of 1-(3-bromophenyl)sulfonyl-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride?
The InChIKey is FOIZJHOHBYUDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2S.ClH/c16-13-2-1-3-15(10-13)21(19,20)18-8-6-14(7-9-18)17-11-12-4-5-12;/h1-3,10,12,14,17H,4-9,11H2;1H.
What are the key properties of 1-(3-bromophenyl)sulfonyl-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride?
1-(3-bromophenyl)sulfonyl-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride has a molecular weight of 409.78 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)sulfonyl-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride is sourced from PubChem (CID 119987758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).