N-[2-(4-bromophenyl)sulfonylethyl]-N-ethylazetidin-3-amine

C13H19BrN2O2S — CID 66181970

IUPACN-[2-(4-bromophenyl)sulfonylethyl]-N-ethylazetidin-3-amine
SMILESCCN(CCS(=O)(=O)c1ccc(Br)cc1)C1CNC1
InChIInChI=1S/C13H19BrN2O2S/c1-2-16(12-9-15-10-12)7-8-19(17,18)13-5-3-11(14)4-6-13/h3-6,12,15H,2,7-10H2,1H3
InChIKeyUVGWIYWZKKYZTP-UHFFFAOYSA-N
MW347.28 g/mol
LogP1.52
Rot. Bonds6

About N-[2-(4-bromophenyl)sulfonylethyl]-N-ethylazetidin-3-amine

N-[2-(4-bromophenyl)sulfonylethyl]-N-ethylazetidin-3-amine (PubChem CID 66181970) has the molecular formula C13H19BrN2O2S and a molecular weight of 347.28 g/mol. Its IUPAC name is N-[2-(4-bromophenyl)sulfonylethyl]-N-ethylazetidin-3-amine.

Molecular Properties

Compound NameN-[2-(4-bromophenyl)sulfonylethyl]-N-ethylazetidin-3-amine
PubChem CID66181970
Molecular FormulaC13H19BrN2O2S
Molecular Weight347.28 g/mol
Exact Mass346.04
IUPAC NameN-[2-(4-bromophenyl)sulfonylethyl]-N-ethylazetidin-3-amine
SMILESCCN(CCS(=O)(=O)c1ccc(Br)cc1)C1CNC1
InChIInChI=1S/C13H19BrN2O2S/c1-2-16(12-9-15-10-12)7-8-19(17,18)13-5-3-11(14)4-6-13/h3-6,12,15H,2,7-10H2,1H3
InChIKeyUVGWIYWZKKYZTP-UHFFFAOYSA-N
XLogP1.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.28
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[2-(4-bromophenyl)sulfonylethyl]-N'-ethylethane-1,2-diamine
CID 114231205
2-(4-bromophenyl)sulfonyl-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106615516
2-(4-bromophenyl)sulfonyl-N-(cyclopropylmethyl)-N-methylethanamine
CID 51086821
2-[azetidin-3-yl(ethyl)amino]-N-(4-bromophenyl)acetamide
CID 66183425
N-ethyl-N-(2-ethylsulfonylethyl)pyrrolidin-3-amine
CID 63299823
N-ethyl-N-(2-phenylethyl)azetidin-3-amine
CID 66182276
1-(4-bromophenyl)sulfonyl-N,N-diethylpyrrolidin-3-amine
CID 63175057
N-methyl-N-(4-propylsulfonylphenyl)piperidin-3-amine
CID 63642004
2-(4-bromophenyl)sulfonyl-N-methylethanamine
CID 60641137
3-(4-bromophenyl)sulfonylazetidine;hydrochloride
CID 72716316
N-ethyl-N-[2-(2-methylimidazol-1-yl)ethyl]azetidin-3-amine
CID 66183472
2-[2-(4-bromophenyl)sulfonylethyl-methylamino]propanoic acid
CID 55096547

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenyl)sulfonylethyl]-N-ethylazetidin-3-amine?
The IUPAC name of N-[2-(4-bromophenyl)sulfonylethyl]-N-ethylazetidin-3-amine (CID 66181970) is N-[2-(4-bromophenyl)sulfonylethyl]-N-ethylazetidin-3-amine.
What is the SMILES notation for N-[2-(4-bromophenyl)sulfonylethyl]-N-ethylazetidin-3-amine?
The canonical SMILES for N-[2-(4-bromophenyl)sulfonylethyl]-N-ethylazetidin-3-amine is CCN(CCS(=O)(=O)c1ccc(Br)cc1)C1CNC1.
What is the InChIKey of N-[2-(4-bromophenyl)sulfonylethyl]-N-ethylazetidin-3-amine?
The InChIKey is UVGWIYWZKKYZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2S/c1-2-16(12-9-15-10-12)7-8-19(17,18)13-5-3-11(14)4-6-13/h3-6,12,15H,2,7-10H2,1H3.
What are the key properties of N-[2-(4-bromophenyl)sulfonylethyl]-N-ethylazetidin-3-amine?
N-[2-(4-bromophenyl)sulfonylethyl]-N-ethylazetidin-3-amine has a molecular weight of 347.28 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenyl)sulfonylethyl]-N-ethylazetidin-3-amine is sourced from PubChem (CID 66181970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).