1-(5-bromofuran-2-yl)sulfonyl-3,3-dimethylpiperidin-4-amine;hydrochloride

C11H18BrClN2O3S — CID 120778987

IUPAC1-(5-bromofuran-2-yl)sulfonyl-3,3-dimethylpiperidin-4-amine;hydrochloride
SMILESCC1(C)CN(S(=O)(=O)c2ccc(Br)o2)CCC1N.Cl
InChIInChI=1S/C11H17BrN2O3S.ClH/c1-11(2)7-14(6-5-8(11)13)18(15,16)10-4-3-9(12)17-10;/h3-4,8H,5-7,13H2,1-2H3;1H
InChIKeyIUQKTEDUVQQVCH-UHFFFAOYSA-N
MW373.70 g/mol
LogP2.21
Rot. Bonds2

About 1-(5-bromofuran-2-yl)sulfonyl-3,3-dimethylpiperidin-4-amine;hydrochloride

1-(5-bromofuran-2-yl)sulfonyl-3,3-dimethylpiperidin-4-amine;hydrochloride (PubChem CID 120778987) has the molecular formula C11H18BrClN2O3S and a molecular weight of 373.70 g/mol. Its IUPAC name is 1-(5-bromofuran-2-yl)sulfonyl-3,3-dimethylpiperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name1-(5-bromofuran-2-yl)sulfonyl-3,3-dimethylpiperidin-4-amine;hydrochloride
PubChem CID120778987
Molecular FormulaC11H18BrClN2O3S
Molecular Weight373.70 g/mol
Exact Mass371.99
IUPAC Name1-(5-bromofuran-2-yl)sulfonyl-3,3-dimethylpiperidin-4-amine;hydrochloride
SMILESCC1(C)CN(S(=O)(=O)c2ccc(Br)o2)CCC1N.Cl
InChIInChI=1S/C11H17BrN2O3S.ClH/c1-11(2)7-14(6-5-8(11)13)18(15,16)10-4-3-9(12)17-10;/h3-4,8H,5-7,13H2,1-2H3;1H
InChIKeyIUQKTEDUVQQVCH-UHFFFAOYSA-N
XLogP2.21
TPSA76.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.70
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(5-bromofuran-2-yl)sulfonyl-3,3-dimethylpiperidin-4-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-bromofuran-2-yl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 120708380
ethyl 5-(4-amino-3,3-dimethylpiperidin-1-yl)sulfonylfuran-2-carboxylate;hydrochloride
CID 120779372
1-(5-chlorothiophen-2-yl)sulfonyl-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120779861
1-(5-bromothiophen-2-yl)sulfonyl-3,3-dimethylpiperidin-4-amine
CID 120778998
3,3-dimethyl-1-(4-nitrophenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 120779851
3,3-dimethyl-1-(1H-pyrrol-3-ylsulfonyl)piperidin-4-amine
CID 114267693
1-(2-bromo-4-nitrophenyl)sulfonyl-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120779102
3,3-dimethyl-1-methylsulfonylpiperidin-4-amine
CID 115269791
methyl 5-(4-amino-3,3-dimethylpiperidin-1-yl)sulfonylfuran-3-carboxylate;hydrochloride
CID 120779109
1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)sulfonyl]-3,3-dimethylpiperidin-4-amine
CID 120779830
1-(5-bromo-2-methylthiophen-3-yl)sulfonyl-3,3-dimethylpiperidin-4-amine
CID 120779642
1-(2-chloro-4-methylphenyl)sulfonyl-3,3-dimethylpiperidin-4-amine
CID 120779997

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromofuran-2-yl)sulfonyl-3,3-dimethylpiperidin-4-amine;hydrochloride?
The IUPAC name of 1-(5-bromofuran-2-yl)sulfonyl-3,3-dimethylpiperidin-4-amine;hydrochloride (CID 120778987) is 1-(5-bromofuran-2-yl)sulfonyl-3,3-dimethylpiperidin-4-amine;hydrochloride.
What is the SMILES notation for 1-(5-bromofuran-2-yl)sulfonyl-3,3-dimethylpiperidin-4-amine;hydrochloride?
The canonical SMILES for 1-(5-bromofuran-2-yl)sulfonyl-3,3-dimethylpiperidin-4-amine;hydrochloride is CC1(C)CN(S(=O)(=O)c2ccc(Br)o2)CCC1N.Cl.
What is the InChIKey of 1-(5-bromofuran-2-yl)sulfonyl-3,3-dimethylpiperidin-4-amine;hydrochloride?
The InChIKey is IUQKTEDUVQQVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O3S.ClH/c1-11(2)7-14(6-5-8(11)13)18(15,16)10-4-3-9(12)17-10;/h3-4,8H,5-7,13H2,1-2H3;1H.
What are the key properties of 1-(5-bromofuran-2-yl)sulfonyl-3,3-dimethylpiperidin-4-amine;hydrochloride?
1-(5-bromofuran-2-yl)sulfonyl-3,3-dimethylpiperidin-4-amine;hydrochloride has a molecular weight of 373.70 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromofuran-2-yl)sulfonyl-3,3-dimethylpiperidin-4-amine;hydrochloride is sourced from PubChem (CID 120778987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).