1-(5-bromothiophen-2-yl)sulfonyl-3,3-dimethylpiperidin-4-amine

C11H17BrN2O2S2 — CID 120778998

IUPAC1-(5-bromothiophen-2-yl)sulfonyl-3,3-dimethylpiperidin-4-amine
SMILESCC1(C)CN(S(=O)(=O)c2ccc(Br)s2)CCC1N
InChIInChI=1S/C11H17BrN2O2S2/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
InChIKeyGWZJXDSBWSMVML-UHFFFAOYSA-N
MW353.31 g/mol
LogP2.26
Rot. Bonds2

About 1-(5-bromothiophen-2-yl)sulfonyl-3,3-dimethylpiperidin-4-amine

1-(5-bromothiophen-2-yl)sulfonyl-3,3-dimethylpiperidin-4-amine (PubChem CID 120778998) has the molecular formula C11H17BrN2O2S2 and a molecular weight of 353.31 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)sulfonyl-3,3-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)sulfonyl-3,3-dimethylpiperidin-4-amine
PubChem CID120778998
Molecular FormulaC11H17BrN2O2S2
Molecular Weight353.31 g/mol
Exact Mass351.99
IUPAC Name1-(5-bromothiophen-2-yl)sulfonyl-3,3-dimethylpiperidin-4-amine
SMILESCC1(C)CN(S(=O)(=O)c2ccc(Br)s2)CCC1N
InChIInChI=1S/C11H17BrN2O2S2/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
InChIKeyGWZJXDSBWSMVML-UHFFFAOYSA-N
XLogP2.26
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.31
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chlorothiophen-2-yl)sulfonyl-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120779861
methyl 5-(4-amino-3,3-dimethylpiperidin-1-yl)sulfonylthiophene-2-carboxylate;hydrochloride
CID 120779175
1-(5-bromo-2-methylthiophen-3-yl)sulfonyl-3,3-dimethylpiperidin-4-amine
CID 120779642
1-(5-bromothiophen-2-yl)sulfonyl-3,4-dimethylpiperidine
CID 115872296
4-(bromomethyl)-1-(5-bromothiophen-2-yl)sulfonylpiperidine
CID 80669253
3,3-dimethyl-1-(1H-pyrrol-3-ylsulfonyl)piperidin-4-amine
CID 114267693
1-(5-bromofuran-2-yl)sulfonyl-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120778987
1-(5-bromothiophen-2-yl)sulfonylpiperidine-4-carbaldehyde
CID 63844505
3,3-dimethyl-1-(2,3,4-trifluorophenyl)sulfonylpiperidin-4-amine
CID 120779666
1-[1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-N-methylethanamine
CID 63855243
6-(5-bromothiophen-2-yl)sulfonyl-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine
CID 81200124
1-(5-bromothiophen-2-yl)sulfonylazepane
CID 893724

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)sulfonyl-3,3-dimethylpiperidin-4-amine?
The IUPAC name of 1-(5-bromothiophen-2-yl)sulfonyl-3,3-dimethylpiperidin-4-amine (CID 120778998) is 1-(5-bromothiophen-2-yl)sulfonyl-3,3-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)sulfonyl-3,3-dimethylpiperidin-4-amine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)sulfonyl-3,3-dimethylpiperidin-4-amine is CC1(C)CN(S(=O)(=O)c2ccc(Br)s2)CCC1N.
What is the InChIKey of 1-(5-bromothiophen-2-yl)sulfonyl-3,3-dimethylpiperidin-4-amine?
The InChIKey is GWZJXDSBWSMVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O2S2/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.
What are the key properties of 1-(5-bromothiophen-2-yl)sulfonyl-3,3-dimethylpiperidin-4-amine?
1-(5-bromothiophen-2-yl)sulfonyl-3,3-dimethylpiperidin-4-amine has a molecular weight of 353.31 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)sulfonyl-3,3-dimethylpiperidin-4-amine is sourced from PubChem (CID 120778998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).