1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)sulfonyl]-3,3-dimethylpiperidin-4-amine

C15H21BrN2O3S — CID 120779830

IUPAC1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)sulfonyl]-3,3-dimethylpiperidin-4-amine
SMILESCC1(C)CN(S(=O)(=O)c2cc(Br)cc3c2OCC3)CCC1N
InChIInChI=1S/C15H21BrN2O3S/c1-15(2)9-18(5-3-13(15)17)22(19,20)12-8-11(16)7-10-4-6-21-14(10)12/h7-8,13H,3-6,9,17H2,1-2H3
InChIKeyINNYMIHCNIKGKM-UHFFFAOYSA-N
MW389.32 g/mol
LogP2.13
Rot. Bonds2

About 1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)sulfonyl]-3,3-dimethylpiperidin-4-amine

1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)sulfonyl]-3,3-dimethylpiperidin-4-amine (PubChem CID 120779830) has the molecular formula C15H21BrN2O3S and a molecular weight of 389.32 g/mol. Its IUPAC name is 1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)sulfonyl]-3,3-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)sulfonyl]-3,3-dimethylpiperidin-4-amine
PubChem CID120779830
Molecular FormulaC15H21BrN2O3S
Molecular Weight389.32 g/mol
Exact Mass388.05
IUPAC Name1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)sulfonyl]-3,3-dimethylpiperidin-4-amine
SMILESCC1(C)CN(S(=O)(=O)c2cc(Br)cc3c2OCC3)CCC1N
InChIInChI=1S/C15H21BrN2O3S/c1-15(2)9-18(5-3-13(15)17)22(19,20)12-8-11(16)7-10-4-6-21-14(10)12/h7-8,13H,3-6,9,17H2,1-2H3
InChIKeyINNYMIHCNIKGKM-UHFFFAOYSA-N
XLogP2.13
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.32
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)sulfonyl]-3,3-dimethylpiperidin-4-amine 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-[1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)sulfonyl]piperidin-4-yl]ethanamine
CID 120709093
[1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)sulfonyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 120708438
1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)sulfonyl]piperazine;hydrochloride
CID 120706633
(3aS,6aR)-5-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)sulfonyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 120714047
1-(5-bromo-2-methylthiophen-3-yl)sulfonyl-3,3-dimethylpiperidin-4-amine
CID 120779642
1-(5-bromofuran-2-yl)sulfonyl-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120778987
1-(2-chloro-4-methylphenyl)sulfonyl-3,3-dimethylpiperidin-4-amine
CID 120779997
1-(3-bromo-5-nitrophenyl)sulfonyl-3,3-dimethylpiperidin-4-amine
CID 120779052
1-(5-bromothiophen-2-yl)sulfonyl-3,3-dimethylpiperidin-4-amine
CID 120778998
1-(3-bromo-5-nitrophenyl)sulfonyl-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120779051
5-bromo-N-ethyl-2,3-dihydro-1-benzofuran-7-sulfonamide
CID 75521928
1-(2-bromo-4-nitrophenyl)sulfonyl-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120779102

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)sulfonyl]-3,3-dimethylpiperidin-4-amine?
The IUPAC name of 1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)sulfonyl]-3,3-dimethylpiperidin-4-amine (CID 120779830) is 1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)sulfonyl]-3,3-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)sulfonyl]-3,3-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)sulfonyl]-3,3-dimethylpiperidin-4-amine is CC1(C)CN(S(=O)(=O)c2cc(Br)cc3c2OCC3)CCC1N.
What is the InChIKey of 1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)sulfonyl]-3,3-dimethylpiperidin-4-amine?
The InChIKey is INNYMIHCNIKGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O3S/c1-15(2)9-18(5-3-13(15)17)22(19,20)12-8-11(16)7-10-4-6-21-14(10)12/h7-8,13H,3-6,9,17H2,1-2H3.
What are the key properties of 1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)sulfonyl]-3,3-dimethylpiperidin-4-amine?
1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)sulfonyl]-3,3-dimethylpiperidin-4-amine has a molecular weight of 389.32 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)sulfonyl]-3,3-dimethylpiperidin-4-amine is sourced from PubChem (CID 120779830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).