1-(4-bromo-2-methylphenyl)sulfonyl-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride

C16H24BrClN2O2S — CID 120711384

IUPAC1-(4-bromo-2-methylphenyl)sulfonyl-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride
SMILESCc1cc(Br)ccc1S(=O)(=O)N1CCC(NCC2CC2)CC1.Cl
InChIInChI=1S/C16H23BrN2O2S.ClH/c1-12-10-14(17)4-5-16(12)22(20,21)19-8-6-15(7-9-19)18-11-13-2-3-13;/h4-5,10,13,15,18H,2-3,6-9,11H2,1H3;1H
InChIKeyFRSRGYAREYKYFL-UHFFFAOYSA-N
MW423.80 g/mol
LogP3.33
Rot. Bonds5

About 1-(4-bromo-2-methylphenyl)sulfonyl-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride

1-(4-bromo-2-methylphenyl)sulfonyl-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride (PubChem CID 120711384) has the molecular formula C16H24BrClN2O2S and a molecular weight of 423.80 g/mol. Its IUPAC name is 1-(4-bromo-2-methylphenyl)sulfonyl-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name1-(4-bromo-2-methylphenyl)sulfonyl-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride
PubChem CID120711384
Molecular FormulaC16H24BrClN2O2S
Molecular Weight423.80 g/mol
Exact Mass422.04
IUPAC Name1-(4-bromo-2-methylphenyl)sulfonyl-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride
SMILESCc1cc(Br)ccc1S(=O)(=O)N1CCC(NCC2CC2)CC1.Cl
InChIInChI=1S/C16H23BrN2O2S.ClH/c1-12-10-14(17)4-5-16(12)22(20,21)19-8-6-15(7-9-19)18-11-13-2-3-13;/h4-5,10,13,15,18H,2-3,6-9,11H2,1H3;1H
InChIKeyFRSRGYAREYKYFL-UHFFFAOYSA-N
XLogP3.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.80
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonyl-3-methylbenzoate;hydrochloride
CID 119987849
4-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonyl-3-methylbenzonitrile
CID 119987403
1-(4-bromo-2-methylphenyl)sulfonylpiperidin-4-amine
CID 120705873
1-(5-bromo-2-methylthiophen-3-yl)sulfonyl-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride
CID 119987415
1-(3-bromophenyl)sulfonyl-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride
CID 119987758
N-(cyclopropylmethyl)-1-(2,5-dimethylfuran-3-yl)sulfonylpiperidin-4-amine
CID 86784647
N-(cyclopropylmethyl)-1-(2,4-difluoro-5-methylphenyl)sulfonylpiperidin-4-amine
CID 119987503
N-(cyclopropylmethyl)-1-(2-fluoro-3-methylphenyl)sulfonylpiperidin-4-amine
CID 120711454
N-(cyclopropylmethyl)-1-[2-methyl-5-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine
CID 119987410
methyl 3-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonyl-4-methylbenzoate
CID 119987827
N-(cyclopropylmethyl)-1-(4-methoxy-3,5-dimethylphenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119987781
N-(cyclopropylmethyl)-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylpiperidin-4-amine
CID 120711446

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methylphenyl)sulfonyl-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride?
The IUPAC name of 1-(4-bromo-2-methylphenyl)sulfonyl-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride (CID 120711384) is 1-(4-bromo-2-methylphenyl)sulfonyl-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride.
What is the SMILES notation for 1-(4-bromo-2-methylphenyl)sulfonyl-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride?
The canonical SMILES for 1-(4-bromo-2-methylphenyl)sulfonyl-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride is Cc1cc(Br)ccc1S(=O)(=O)N1CCC(NCC2CC2)CC1.Cl.
What is the InChIKey of 1-(4-bromo-2-methylphenyl)sulfonyl-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride?
The InChIKey is FRSRGYAREYKYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O2S.ClH/c1-12-10-14(17)4-5-16(12)22(20,21)19-8-6-15(7-9-19)18-11-13-2-3-13;/h4-5,10,13,15,18H,2-3,6-9,11H2,1H3;1H.
What are the key properties of 1-(4-bromo-2-methylphenyl)sulfonyl-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride?
1-(4-bromo-2-methylphenyl)sulfonyl-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride has a molecular weight of 423.80 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-methylphenyl)sulfonyl-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride is sourced from PubChem (CID 120711384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).